Publications

  1. Dougherty GW, Ostrowski LE, Nothe-Menchen T, Raidt J, Schramm A, Olbrich H, Yin W, Sears PR, Dang H, Smith AJ, Beule AG, Hjeij R, Rutjes N, Haarman EG, Maas SM, Ferkol TW, Noone PG, Olivier KN, Bracht DC, Barbry P, Zaragosi LE, Fierville M, Kliesch S, Wohlgemuth K, Konig J, George S, Loges NT, Ceppe A, Markovetz MR, Luo H, Guo T, Rizk H, Eldesoky T, Dahlke K, Boldt K, Ueffing M, Hill DB, Pang YP, Knowles MR, Zariwala MA, Omran H. Recessively Inherited Deficiency of Secreted WFDC2 (HE4) Causes Nasal Polyposis and Bronchiectasis. Am J Respir Crit Care Med. 2024 Apr 16 [Epub ahead of print]
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  2. Hu C, Belur Nagaraj A, Nagaraj AB, Shimelis H, Montalban G, Lee KY, Huang H, Lumby CA, Na J, Susswein LR, Roberts ME, Marshall ML, Hiraki S, LaDuca H, Chao E, Yussuf A, Pesaran T, Neuhausen SL, Haiman CA, Kraft P, Lindstrom S, Palmer JR, Teras LR, Vachon CM, Yao S, Ong I, Nathanson KL, Weitzel JN, Boddicker N, Gnanaolivu R, Polley EC, Mer G, Cui G, Karam R, Richardson ME, Domchek SM, Yadav S, Hruska KS, Dolinsky J, Weroha SJ, Hart SN, Simard J, Masson JY, Pang YP, Couch FJ. Functional and Clinical Characterization of Variants of Uncertain Significance Identifies a Hotspot for Inactivating Missense Variants in RAD51C. Cancer Res. 2023 Aug 1; 83 (15):2557-2571
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  3. Dai H, Peterson KL, Flatten KS, Meng XW, Venkatachalam A, Correia C, Ramirez-Alvarado M, Pang YP, Kaufmann SH. A BAK subdomain that binds mitochondrial lipids selectively and releases cytochrome C. Cell Death Differ. 2023 Mar; 30(3):794-808. Epub 2022 Nov 14.
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  4. Lorenzana IJ, Leske DA, Hatt SR, Dean TW, Jenewein EC, Dagi LR, Beal CJ, Pang Y, Retnasothie DV, Esposito CA, Erzurum SA, Aldrich AE, Crouch ER, Li Z, Kraker RT, Holmes JM, Cotter SA, Pediatric Eye Disease Investigator Group//Pediatric Eye Disease Investigator Group. Relationships among Clinical Factors and Patient-reported Outcome Measures in Adults with Convergence Insufficiency. Optom Vis Sci. 2022 Sep 1; 99 (9):692-701 Epub 2022 Aug 02
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  5. Pang YP. How neocarcerand Octacid4 self-assembles with guests into irreversible noncovalent complexes and what accelerates the assembly. Commun Chem. 2022 Jan 20; 5 (1):9
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  6. Xie M, Liu YU, Zhao S, Zhang L, Bosco DB, Pang YP, Zhong J, Sheth U, Martens YA, Zhao N, Liu CC, Zhuang Y, Wang L, Dickson DW, Mattson MP, Bu G, Wu LJ. TREM2 interacts with TDP-43 and mediates microglial neuroprotection against TDP-43-related neurodegeneration. Nat Neurosci. 2022 Jan; 25 (1):26-38 Epub 2021 Dec 16
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  7. Mak S, Li W, Fu H, Luo J, Cui W, Hu S, Pang Y, Carlier PR, Tsim KW, Pi R, Han Y. Promising tacrine/huperzine A-based dimeric acetylcholinesterase inhibitors for neurodegenerative disorders: From relieving symptoms to modifying diseases through multitarget. J Neurochem. 2021 Sep; 158 (6):1381-1393 Epub 2021 July 05
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  8. Wiese EK, Hitosugi S, Loa ST, Sreedhar A, Andres-Beck LG, Kurmi K, Pang YP, Karnitz LM, Gonsalves WI, Hitosugi T. Enzymatic activation of pyruvate kinase increases cytosolic oxaloacetate to inhibit the Warburg effect. Nat Metab. 2021 Jul; 3 (7):954-968 Epub 2021 July 05
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  9. McFerrin KG, Pang YP. How the water-soluble hemicarcerand incarcerates guests at room temperature decoded with modular simulations. Commun Chem. 2021 Mar 1; 4 (1):26 Epub 2021 Mar 01
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  10. Dougherty GW, Mizuno K, Nothe-Menchen T, Ikawa Y, Boldt K, Ta-Shma A, Aprea I, Minegishi K, Pang YP, Pennekamp P, Loges NT, Raidt J, Hjeij R, Wallmeier J, Mussaffi H, Perles Z, Elpeleg O, Rabert F, Shiratori H, Letteboer SJ, Horn N, Young S, Strunker T, Stumme F, Werner C, Olbrich H, Takaoka K, Ide T, Twan WK, Biebach L, Grosse-Onnebrink J, Klinkenbusch JA, Praveen K, Bracht DC, Hoben IM, Junger K, Gutzlaff J, Cindric S, Aviram M, Kaiser T, Memari Y, Dzeja PP, Dworniczak B, Ueffing M, Roepman R, Bartscherer K, Katsanis N, Davis EE, Amirav I, Hamada H, Omran H. CFAP45 deficiency causes situs abnormalities and asthenospermia by disrupting an axonemal adenine nucleotide homeostasis module. Nat Commun. 2020 Nov 2; 11 (1):5520 Epub 2020 Nov 02
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  11. Ye K, Meng WX, Sun H, Wu B, Chen M, Pang YP, Gao J, Wang H, Wang J, Kaufmann SH, Dai H. Characterization of an alternative BAK-binding site for BH3 peptides. Nat Commun. 2020 Jul 3; 11 (1):3301 Epub 2020 July 03
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  12. Pang YP. Comment on "Cysteine-Targeted Insecticides against A. gambiae Acetylcholinesterase Are Neither Selective nor Reversible Inhibitors". ACS Med Chem Lett. 2020 Jun 11; 11 (6):1063-1064 Epub 2020 May 19
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  13. Hu S, Xian Y, Fan Y, Mak S, Wang J, Tang J, Pang Y, Pi R, Tsim KW, Liu F, Lin Z, Han Y. Significant combination of Abeta aggregation inhibitory and neuroprotective properties in silico, in vitro and in vivo by bis(propyl)-cognitin, a multifunctional anti-Alzheimer's agent. Eur J Pharmacol. 2020 Jun 5; 876:173065 Epub 2020 Mar 20
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  14. Ke Z, Hu S, Cui W, Sun J, Zhang S, Mak S, Wang J, Tang J, Pang Y, Han Y, Tong K. Bis(propyl)-cognitin potentiates rehabilitation of treadmill exercise after a transient focal cerebral ischemia, possibly via inhibiting NMDA receptor and regulating VEGF expression. Neurochem Int. 2019 Sep; 128:143-153 Epub 2019 Apr 26
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  15. Block MS, Nevala WK, Pang YP, Allred JB, Strand C, Markovic SN. A pilot clinical trial testing topical resiquimod and a xenopeptide as immune adjuvants for a melanoma vaccine targeting MART-1. Melanoma Res. 2019 Aug; 29 (4):420-427
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  16. Zhang L, Zhang S, Maezawa I, Trushin S, Minhas P, Pinto M, Jin LW, Prasain K, Nguyen TDT, Yamazaki Y, Kanekiyo T, Bu G, Gateno B, Chang KO, Nath KA, Nemutlu E, Dzeja P, Pang YP, Hua DH, Trushina E. Corrigendum to "Modulation of mitochondrial complex I activity averts cognitive decline in multiple animal models of familial Alzheimer's disease" [EBioMedicine 2 (2015) 294-305]. EBioMedicine. 2019 Apr; 42:532 Epub 2019 Apr 04
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  17. Pang YP, Casal Moura M, Thompson GE, Nelson DR, Hummel AM, Jenne DE, Emerling D, Volkmuth W, Robinson WH, Specks U. Remote Activation of a Latent Epitope in an Autoantigen Decoded With Simulated B-Factors. Front Immunol. 2019; 10:2467 Epub 2019 Oct 25
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  18. Pang YP, Elsbernd LR, Block MS, Markovic SN. Peptide-Binding Groove Contraction Linked to the Lack of T Cell Response: Using Complex Structure and Energy To Identify Neoantigens. Immunohorizons. 2018 Aug 10; 2 (7):216-225
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  19. Pang YP. How fast fast-folding proteins fold in silico. Biochem Biophys Res Commun. 2017 Oct 7; 492 (1):135-139 Epub 2017 Aug 09
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  20. Darras FH, Pang YP. On the use of the experimentally determined enzyme inhibition constant as a measure of absolute binding affinity. Biochem Biophys Res Commun. 2017 Aug 5; 489 (4):451-454 Epub 2017 May 29
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  21. Brimijoin S, Chen VP, Pang YP, Geng L, Gao Y. Physiological roles for butyrylcholinesterase: A BChE-ghrelin axis. Chem Biol Interact. 2016 Nov 25; 259 (Pt B):271-275 Epub 2016 Feb 23
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  22. Pang YP. FF12MC: A revised AMBER forcefield and new protein simulation protocol. Proteins. 2016 Oct; 84 (10):1490-516 Epub 2016 July 21
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  23. Pang YP. Use of multiple picosecond high-mass molecular dynamics simulations to predict crystallographic B-factors of folded globular proteins. Heliyon. 2016 Sep; 2 (9):e00161 Epub 2016 Sept 20
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  24. Cummins NW, Sainski AM, Dai H, Natesampillai S, Pang YP, Bren GD, de Araujo Correia MCM, Sampath R, Rizza SA, O'Brien D, Yao JD, Kaufmann SH, Badley AD. Prime, Shock, and Kill: Priming CD4 T Cells from HIV Patients with a BCL-2 Antagonist before HIV Reactivation Reduces HIV Reservoir Size. J Virol. 2016 Apr; 90(8):4032-4048. Epub 2016 Mar 28.
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  25. Hu SQ, Wang R, Cui W, Mak SH, Li G, Hu YJ, Lee MY, Pang YP, Han YF. Dimeric bis (heptyl)-Cognitin Blocks Alzheimer's beta-Amyloid Neurotoxicity Via the Inhibition of Abeta Fibrils Formation and Disaggregation of Preformed Fibrils. CNS Neurosci Ther. 2015 Dec; 21 (12):953-61 Epub 2015 Oct 28
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  26. Pang YP. Low-mass molecular dynamics simulation for configurational sampling enhancement: More evidence and theoretical explanation. Biochem Biophys Rep. 2015 Dec; 4:126-133 Epub 2015 Sept 02
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  27. Lee SB, Kim JJ, Nam HJ, Gao B, Yin P, Qin B, Yi SY, Ham H, Evans D, Kim SH, Zhang J, Deng M, Liu T, Zhang H, Billadeau DD, Wang L, Giaime E, Shen J, Pang YP, Jen J, van Deursen JM, Lou Z. Parkin Regulates Mitosis and Genomic Stability through Cdc20/Cdh1. Mol Cell. 2015 Oct 1; 60 (1):21-34 Epub 2015 Sept 17
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  28. Hu S, Cui W, Mak S, Xu D, Hu Y, Tang J, Choi C, Lee M, Pang Y, Han Y. Substantial Neuroprotective and Neurite Outgrowth-Promoting Activities by Bis(propyl)-cognitin via the Activation of Alpha7-nAChR, a Promising Anti-Alzheimer's Dimer. ACS Chem Neurosci. 2015 Sep 16; 6: (9)1536-45.
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  29. Chang L, Cui W, Yang Y, Xu S, Zhou W, Fu H, Hu S, Mak S, Hu J, Ma VP, Choi TC, Ma ED, Tao L, Pang Y, Rowan MJ, Anwyl R, Han Y, Wang Q. Protection against beta-amyloid-induced synaptic and memory impairments via altering beta-amyloid assembly by bis(heptyl)-cognitin. Sci Rep. 2015 Jul 21; 5:10256 Epub 2015 July 21
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  30. Hu SQ, Cui W, Mak SH, Choi CL, Hu YJ, Li G, Tsim KW, Pang YP, Han YF. Robust Neuritogenesis-Promoting Activity by Bis(heptyl)-Cognitin Through the Activation of alpha7-Nicotinic Acetylcholine Receptor/ERK Pathway. CNS Neurosci Ther. 2015 Jun; 21 (6):520-9 Epub 2015 Apr 28
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  31. Zhang L, Zhang S, Maezawa I, Trushin S, Minhas P, Pinto M, Jin LW, Prasain K, Nguyen TD, Yamazaki Y, Kanekiyo T, Bu G, Gateno B, Chang KO, Nath KA, Nemutlu E, Dzeja P, Pang YP, Hua DH, Trushina E. Modulation of mitochondrial complex I activity averts cognitive decline in multiple animal models of familial Alzheimer's Disease. EBioMedicine. 2015 Apr 1; 2 (4):294-305
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  32. Pang YP. At least 10% shorter C-H bonds in cryogenic protein crystal structures than in current AMBER forcefields. Biochem Biophys Res Commun. 2015 Mar 6; 458(2):352-5. Epub 2015 Feb 04.
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  33. Chen VP, Gao Y, Geng L, Parks RJ, Pang YP, Brimijoin S. Plasma butyrylcholinesterase regulates ghrelin to control aggression. Proc Natl Acad Sci U S A. 2015 Feb 17; 112 (7):2251-6 Epub 2015 Feb 02
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  34. Pang YP. Use of 1-4 interaction scaling factors to control the conformational equilibrium between alpha-helix and beta-strand. Biochem Biophys Res Commun. 2015 Feb 6; 457(2):183-6. Epub 2014 Dec 25.
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  35. Sainski AM, Dai H, Natesampillai S, Pang YP, Bren GD, Cummins NW, Correia C, Meng XW, Tarara JE, Ramirez-Alvarado M, Katzmann DJ, Ochsenbauer C, Kappes JC, Kaufmann SH, Badley AD. Casp8p41 generated by HIV protease kills CD4 T cells through direct Bak activation. J Cell Biol. 2014 Sep 29; 206(7):867-76. Epub 2014 Sep 22.
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  36. Pang YP. Low-mass molecular dynamics simulation: a simple and generic technique to enhance configurational sampling. Biochem Biophys Res Commun. 2014 Sep 26; 452(3):588-92. Epub 2014 Aug 30.
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  37. Dai H, Pang YP, Ramirez-Alvarado M, Kaufmann SH. Evaluation of the BH3-only protein Puma as a direct Bak activator. J Biol Chem. 2014 Jan 3; 289(1):89-99. Epub 2013 Nov 21
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  38. Pang YP. Insect acetylcholinesterase as a target for effective and environmentally safe insecticides. Advances in Insect Physiology. 2014; 46:435-94.
  39. Yu S, Park JG, Kahn JN, Tumer NE, Pang YP. Common pharmacophore of structurally distinct small-molecule inhibitors of intracellular retrograde trafficking of ribosome inactivating proteins. Sci Rep. 2013 Dec 2; 3:3397 Epub 2013 Dec 02
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  40. Hu SQ, Cui W, Xu DP, Mak SH, Tang J, Choi CL, Pang YP, Han YF. Substantial neuroprotection against K(+) deprivation-induced apoptosis in primary cerebellar granule neurons by novel dimer bis(propyl)-cognitin via the activation of VEGFR-2 signaling pathway. CNS Neurosci Ther. 2013 Oct; 19(10):764-72. Epub 2013 Jul 04.
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  41. Hu S, Cui W, Mak S, Tang J, Choi C, Pang Y, Han Y. Bis(propyl)-cognitin protects against glutamate-induced neuro-excitotoxicity via concurrent regulation of NO, MAPK/ERK and PI3-K/Akt/GSK3beta pathways. Neurochem Int. 2013 Mar; 62(4):468-77. Epub 2013 Jan 26.
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  42. Kim MS, Machida Y, Vashisht AA, Wohlschlegel JA, Pang YP, Machida YJ. Regulation of error-prone translesion synthesis by Spartan/C1orf124. Nucleic Acids Res. 2013 Feb 1; 41 (3):1661-8 Epub 2012 Dec 18
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  43. Dou D, Park JG, Rana S, Madden BJ, Jiang H, Pang YP. Novel selective and irreversible mosquito acetylcholinesterase inhibitors for controlling malaria and other mosquito-borne diseases. Sci Rep. 2013; 3:1068 Epub 2013 Jan 15
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  44. Yao L, Li W, She H, Dou J, Jia L, He Y, Yang Q, Zhu J, Capiro NL, Walker DI, Pennell KD, Pang Y, Liu Y, Han Y, Mao Z. Activation of transcription factor MEF2D by bis(3)-cognitin protects dopaminergic neurons and ameliorates Parkinsonian motor defects. J Biol Chem. 2012 Oct 5; 287(41):34246-55. Epub 2012 Aug 13.
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  45. Pang YP, Brimijoin S, Ragsdale DW, Brimijoin S, Zhu KY, Suranyi R. Novel and viable acetylcholinesterase target site for developing effective and environmentally safe insecticides. Curr Drug Targets. 2012 Apr; 13 (4):471-82
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  46. Pang YP, Dai HM, Smith A, Meng XW, Schneider PA, Kaufmann SH. Bak conformational changes induced by ligand binding: insight into bh3 domain binding and bak homo-oligomerization. Scientific Reports. 2012 Feb 10; 2.
  47. Park JG, Kahn JN, Tumer NE, Pang YP. Chemical structure of Retro-2, a compound that protects cells against ribosome-inactivating proteins. Sci Rep. 2012; 2:631 Epub 2012 Sept 05
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  48. Lu Y, Park Y, Gao X, Zhang X, Yao J, Pang YP, Jiang H, Zhu KY. Cholinergic and non-cholinergic functions of two acetylcholinesterase genes revealed by gene-silencing in Tribolium castaneum. Sci Rep. 2012; 2:288. Epub 2012 Feb 27.
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  49. Lu Y, Pang YP, Park Y, Gao X, Yao J, Zhang X, Zhu KY. Genome organization, phylogenies, expression patterns, and three-dimensional protein models of two acetylcholinesterase genes from the red flour beetle. PLoS One. 2012; 7(2):e32288. Epub 2012 Feb 16.
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  50. Dai H, Smith A, Meng XW, Schneider PA, Pang YP, Kaufmann SH. Transient binding of an activator BH3 domain to the Bak BH3-binding groove initiates Bak oligomerization. J Cell Biol. 2011 Jul 11; 194 (1):39-48 Epub 2011 July 04
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  51. Pang YP, Park JG, Wang S, Vummenthala A, Mishra RK, McLaughlin JE, Di R, Kahn JN, Tumer NE, Janosi L, Davis J, Millard CB. Small-molecule inhibitor leads of ribosome-inactivating proteins developed using the doorstop approach. PLoS One. 2011 Mar 24; 6 (3):e17883
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  52. Wille T, Ekstrom F, Lee JC, Pang YP, Thiermann H, Worek F. Kinetic analysis of interactions between alkylene-linked bis-pyridiniumaldoximes and human acetylcholinesterases inhibited by various organophosphorus compounds. Biochem Pharmacol. 2010 Sep 15; 80(6):941-6. Epub 2010 May 26.
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  53. Polsinelli GA, Singh SK, Mishra RK, Suranyi R, Ragsdale DW, Pang YP, Brimijoin S. Insect-specific irreversible inhibitors of acetylcholinesterase in pests including the bed bug, the eastern yellowjacket, German and American cockroaches, and the confused flour beetle. Chem Biol Interact. 2010 Sep 6; 187 (1-3):142-7 Epub 2010 Jan 28
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  54. Luo J, Li W, Zhao Y, Fu H, Ma DL, Tang J, Li C, Peoples RW, Li F, Wang Q, Huang P, Xia J, Pang Y, Han Y. Pathologically activated neuroprotection via uncompetitive blockade of N-methyl-D-aspartate receptors with fast off-rate by novel multifunctional dimer bis(propyl)-cognitin. J Biol Chem. 2010 Jun 25; 285(26):19947-58. Epub 2010 Apr 19.
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  55. Pang YP, Davis J, Wang S, Park JG, Nambiar MP, Schmidt JJ, Millard CB. Small molecules showing significant protection of mice against botulinum neurotoxin serotype A. PLoS One. 2010 Apr 13; 5 (4):e10129
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  56. Hornberg A, Artursson E, Warme R, Pang YP, Ekstrom F. Crystal structures of oxime-bound fenamiphos-acetylcholinesterases: reactivation involving flipping of the His447 ring to form a reactive Glu334-His447-oxime triad. Biochem Pharmacol. 2010 Feb 1; 79(3):507-15. Epub 2009 Sep 02.
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  57. Fu H, Dou J, Li W, Cui W, Mak S, Hu Q, Luo J, Lam CS, Pang Y, Youdim MB, Han Y. Promising multifunctional anti-Alzheimer's dimer bis(7)-Cognitin acting as an activator of protein kinase C regulates activities of alpha-secretase and BACE-1 concurrently. Eur J Pharmacol. 2009 Nov 25; 623(1-3):14-21. Epub 2009 Sep 16.
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  58. Pang YP, Vummenthala A, Mishra RK, Park JG, Wang S, Davis J, Millard CB, Schmidt JJ. Potent new small-molecule inhibitor of botulinum neurotoxin serotype A endopeptidase developed by synthesis-based computer-aided molecular design. PLoS One. 2009 Nov 10; 4 (11):e7730
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  59. Pang YP, Ekstrom F, Polsinelli GA, Gao Y, Rana S, Hua DH, Andersson B, Andersson PO, Peng L, Singh SK, Mishra RK, Zhu KY, Fallon AM, Ragsdale DW, Brimijoin S. Selective and irreversible inhibitors of mosquito acetylcholinesterases for controlling malaria and other mosquito-borne diseases. PLoS One. 2009 Aug 28; 4 (8):e6851
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  60. Yao K, Cho YY, Bode AM, Vummenthala A, Park JG, Liu K, Pang YP, Dong Z. A selective small-molecule inhibitor of c-Jun N-terminal kinase 1. FEBS Lett. 2009 Jul 7; 583(13):2208-12. Epub 2009 Jun 13.
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  61. Zhou L, Liu YW, Peoples RW, Yang M, Tian X, Ai YX, Pang YP, Li ZW, Han YF, Li CY. Mechanism of bis(7)-tacrine inhibition of GABA-activated current in cultured rat hippocampal neurons. Neuropharmacology. 2009 Jul; 57(1):33-40. Epub 2009 Apr 22.
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  62. Killian BJ, Kravitz JY, Somani S, Dasgupta P, Pang YP, Gilson MK. Configurational entropy in protein-peptide binding: computational study of Tsg101 ubiquitin E2 variant domain with an HIV-derived PTAP nonapeptide. J Mol Biol. 2009 Jun 5; 389(2):315-35. Epub 2009 Apr 09.
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  63. Tomlinson SM, Malmstrom RD, Russo A, Mueller N, Pang YP, Watowich SJ. Structure-based discovery of dengue virus protease inhibitors. Antiviral Res. 2009 Jun; 82(3):110-4. Epub 2009 Feb 21.
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  64. Ekstrom F, Hornberg A, Artursson E, Hammarstrom LG, Schneider G, Pang YP. Structure of HI-6-sarin-acetylcholinesterase determined by x-ray crystallography and molecular dynamics simulation: Reactivator mechanism and design. PLoS ONE. 2009; 4(6).
  65. Pang YP, Singh SK, Gao Y, Lassiter TL, Mishra RK, Zhu KY, Brimijoin S. Selective and irreversible inhibitors of aphid acetylcholinesterases: steps toward human-safe insecticides. PLoS One. 2009; 4 (2):e4349 Epub 2009 Feb 04
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  66. Zhao Y, Li W, Chow PC, Lau DT, Lee NT, Pang Y, Zhang X, Wang X, Han Y. Bis(7)-tacrine, a promising anti-Alzheimer's dimer, affords dose- and time-dependent neuroprotection against transient focal cerebral ischemia. Neurosci Lett. 2008 Jul 11; 439(2):160-4. Epub 2008 May 08.
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  67. Zhang L, Yu H, Li WM, Cheung MC, Pang YP, Gu ZM, Chan K, Wang YT, Zuo Z, Han YF. Preclinical characterization of intestinal absorption and metabolism of promising anti-Alzheimer's dimer bis(7)-tacrine. Int J Pharm. 2008 Jun 5; 357(1-2):85-94. Epub 2008 Feb 02.
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  68. Liu YW, Luo JL, Ren H, Peoples RW, Ai YX, Liu LJ, Pang YP, Li ZW, Han YF, Li CY. Inhibition of NMDA-gated ion channels by bis(7)-tacrine: whole-cell and single-channel studies. Neuropharmacology. 2008 Jun; 54(7):1086-94. Epub 2008 Mar 02.
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  69. Liu YW, Li CY, Luo JL, Li WM, Fu HJ, Lao YZ, Liu LJ, Pang YP, Chang DC, Li ZW, Peoples RW, Ai YX, Han YF. Bis(7)-tacrine prevents glutamate-induced excitotoxicity more potently than memantine by selectively inhibiting NMDA receptors. Biochem Biophys Res Commun. 2008 May 16; 369(4):1007-11. Epub 2008 Mar 06.
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  70. Zhang L, Yu H, Li WM, Cheung MC, Pang YP, Lin G, Wang YT, Zuo Z, Han YF. Selective and sensitive determination of bis(7)-tacrine, a high erythrocyte binding acetylcholinesterase inhibitor, in rat plasma by high-performance liquid chromatography-tandem mass spectrometry. Biomed Chromatogr. 2008 Apr; 22(4):414-20.
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  71. Fu H, Li W, Luo J, Lee NT, Li M, Tsim KW, Pang Y, Youdim MB, Han Y. Promising anti-Alzheimer's dimer bis(7)-tacrine reduces beta-amyloid generation by directly inhibiting BACE-1 activity. Biochem Biophys Res Commun. 2008 Feb 15; 366(3):631-6. Epub 2007 Nov 26.
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  72. Choi J, Park JG, Pang YP. Convenient Synthesis of a Library of Discrete Hydroxamic Acids Using the Hydroxythiophenol (Marshall) Resin. Tetrahedron Lett. 2008 Feb 11; 49 (7):1103-1106
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  73. Yu H, Li WM, Kan KK, Ho JM, Carlier PR, Pang YP, Gu ZM, Zhong Z, Chan K, Wang YT, Han YF. The physicochemical properties and the in vivo AChE inhibition of two potential anti-Alzheimer agents, bis(12)-hupyridone and bis(7)-tacrine. J Pharm Biomed Anal. 2008 Jan 7; 46(1):75-81. Epub 2007 Sep 04.
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  74. Pang YP, Mullins TJ, Swartz BA, McAllister JS, Smith BE, Archer CJ, Musselman RG, Peters AE, Wallenfelt BP, Pinnow KW. EUDOC on the IBM Blue Gene/L system: Accelerating the transfer of drug discoveries from laboratory to patient. IBM Journal of Research & Development. 2008 Jan-Mar; 52(1-2):69-81.
  75. Wang Q, Pang YP. Normal-mode-analysis-monitored energy minimization procedure for generating small-molecule bound conformations. PLoS One. 2007 Oct 10; 2 (10):e1025
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  76. Luo J, Li W, Liu Y, Zhang W, Fu H, Lee NT, Yu H, Pang Y, Huang P, Xia J, Li ZW, Li CY, Han YF. Novel dimeric bis(7)-tacrine proton-dependently inhibits NMDA-activated currents. Biochem Biophys Res Commun. 2007 Sep 21; 361(2):505-9. Epub 2007 Jul 20.
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  77. Wang Q, Pang YP. Preference of small molecules for local minimum conformations when binding to proteins. PLoS One. 2007 Sep 5; 2 (9):e820 Epub 2007 Sept 05
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  78. Yu H, Ho JMK, Kan KKW, Cheng BWH, Li WM, Zhang L, Lin G, Pang YP, Gu ZM, Chan K, Wang YT, Han YF. Development of a high performance liquid chromatography-tandem mass method for determination of bis(7)-tacrine, a promising anti-Alzheimer's dimer, in rat blood. J Pharm Biomed Anal. 2007 Sep 3; 44(5):1133-8.
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  79. Ekstrom FJ, Astot C, Pang YP. Novel nerve-agent antidote design based on crystallographic and mass spectrometric analyses of tabun-conjugated acetylcholinesterase in complex with antidotes. Clin Pharmacol Ther. 2007 Sep; 82(3):282-93. Epub 2007 Apr 18.
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  80. Li WM, Kan KK, Carlier PR, Pang YP, Han YF. East meets West in the search for Alzheimer's therapeutics - novel dimeric inhibitors from tacrine and huperzine A. Curr Alzheimer Res. 2007 Sep; 4(4):386-96.
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  81. Tang J, Park JG, Millard CB, Schmidt JJ, Pang YP. Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype A. PLoS One. 2007 Aug 22; 2 (8):e761
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  82. Fu H, Li W, Liu Y, Lao Y, Liu W, Chen C, Yu H, Lee NT, Chang DC, Li P, Pang YP, Tsim KWK, Li MT, Han YF. Mitochondrial proteomic analysis and characterization of the intracellular mechanisms of bis(7)-tacrine in protecting against glutamate-induced excitotoxicity in primary cultured neurons. J Proteome Res. 2007 Jul; 6(7):2435-46. Epub 2007 May 27.
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  83. Wang Q, Pang YP. Accurate reproduction of 161 small-molecule complex crystal structures using the EUDOC program: expanding the use of EUDOC to supramolecular chemistry. PLoS One. 2007 Jun 13; 2 (6):e531 Epub 2007 June 13
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  84. Li W, Xue J, Niu C, Fu H, Lam CS, Luo J, Chan HH, Xue H, Kan KK, Lee NT, Li C, Pang Y, Li M, Tsim KW, Jiang H, Chen K, Li X, Han YF. Synergistic neuroprotection by bis(7)-tacrine via concurrent blockade of N-methyl-D-aspartate receptors and neuronal nitric-oxide synthase. Mol Pharmacol. 2007 May; 71(5):1258-67.
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  85. Babady NE, Pang YP, Elpeleg O, Isaya G. Cryptic proteolytic activity of dihydrolipoamide dehydrogenase. Proc Natl Acad Sci U S A. 2007 Apr 10; 104 (15):6158-63 Epub 2007 Apr 02
    View PubMed
  86. Le SB, Hailer MK, Buhrow S, Wang Q, Flatten K, Pediaditakis P, Bible KC, Lewis LD, Sausville EA, Pang YP, Ames MM, Lemasters JJ, Holmuhamedov EL, Kaufmann SH. Inhibition of mitochondrial respiration as a source of adaphostin-induced reactive oxygen species and cytotoxicity. J Biol Chem. 2007 Mar 23; 282 (12):8860-72 Epub 2007 Jan 09
    View PubMed
  87. Nie H, Yu WJ, Li XY, Yuan CH, Pang YP, Li CY, Han YF, Li ZW. Inhibition by bis(7)-tacrine of native delayed rectifier and KV1.2 encoded potassium channels. Neurosci Lett. 2007 Jan 29; 412(2):108-13.
    View PubMed
  88. Li C-Y, Carlier PR, Ren H, Kan KKW, Hui K-M, Wang H, Li W-M, Li Z-W, Xiong K, Clement EC, Xue H, Lui X-G, Li M-T, Pang Y-P, Han Y-F. Alkylene tether-length dependent gamma-aminobutyric acid type A receptor competitive antagonism by tacrine dimers. Neuropharmacology. 2007; 52:436-43.
  89. Pang YP. Species marker for developing novel and safe pesticides. Bioorg Med Chem Lett. 2007 Jan 1; 17(1):197-9. Epub 2006 Oct 12.
    View PubMed
  90. Pang YP. In silico drug discovery: solving the "target-rich and lead-poor" imbalance using the genome-to-drug-lead paradigm. Clin Pharmacol Ther. 2007 Jan; 81 (1):30-4
    View PubMed
  91. Pang YP. Novel acetylcholinesterase target site for malaria mosquito control. PLoS One. 2006 Dec 20; 1:e58
    View PubMed
  92. Lipinski CA, Tran NL, Dooley A, Pang YP, Rohl C, Kloss J, Yang Z, McDonough W, Craig D, Berens ME, Loftus JC. Critical role of the FERM domain in Pyk2 stimulated glioma cell migration. Biochem Biophys Res Commun. 2006 Oct 27; 349 (3):939-47 Epub 2006 Aug 31
    View PubMed
  93. Rydberg EH, Brumshtein B, Greenblatt HM, Wong DM, Shaya D, Williams LD, Carlier PR, Pang YP, Silman I, Sussman JL. Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge. J Med Chem. 2006 Sep 7; 49(18):5491-500.
    View PubMed
  94. Fu H, Li W, Lao Y, Luo J, Lee NT, Kan KK, Tsang HW, Tsim KW, Pang Y, Li Z, Chang DC, Li M, Han Y. Bis(7)-tacrine attenuates beta amyloid-induced neuronal apoptosis by regulating L-type calcium channels. J Neurochem. 2006 Sep; 98(5):1400-10. Epub 2006 Jun 12.
    View PubMed
  95. Ekstrom F, Pang YP, Boman M, Artursson E, Akfur C, Borjegren S. Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: structural basis for differences in the ability to reactivate tabun conjugates. Biochem Pharmacol. 2006 Aug 28; 72(5):597-607. Epub 2006 Jul 31.
    View PubMed
  96. Merino I, Thompson JD, Millard CB, Schmidt JJ, Pang YP. Bis-imidazoles as molecular probes for peripheral sites of the zinc endopeptidase of botulinum neurotoxin serotype A. Bioorg Med Chem. 2006 May 15; 14(10):3583-91. Epub 2006 Feb 02.
    View PubMed
  97. Li W, Lee NT, Fu H, Kan KK, Pang Y, Li M, Tsim KW, Li X, Han Y. Neuroprotection via inhibition of nitric oxide synthase by bis(7)-tacrine. Neuroreport. 2006 Apr 3; 17(5):471-4.
    View PubMed
  98. Dooley AJ, Shindo N, Taggart B, Park JG, Pang YP. From genome to drug lead: identification of a small-molecule inhibitor of the SARS virus. Bioorg Med Chem Lett. 2006 Feb 15; 16 (4):830-3 Epub 2005 Dec 01
    View PubMed
  99. Park JG, Sill PC, Makiyi EF, Garcia-Sosa AT, Millard CB, Schmidt JJ, Pang YP. Serotype-selective, small-molecule inhibitors of the zinc endopeptidase of botulinum neurotoxin serotype A. Bioorg Med Chem. 2006 Jan 15; 14(2):395-408. Epub 2005 Oct 03.
    View PubMed
  100. Zaidi JH, Naeem F, Ambreen N, Khan KM, Pang YP, Cusack B, Richelson E, Anwar A, Voelter W. Pyrrole-based partial peptidic mimic of neurotensin (8-13): Design and synthesis. Letters in Organic Chemistry. 2006 Jan; 3(1):21-4.
  101. Haviv H, Wong DM, Greenblatt HM, Carlier PR, Pang YP, Silman I, Sussman JL. Crystal packing mediates enantioselective ligand recognition at the peripheral site of acetylcholinesterase. J Am Chem Soc. 2005 Aug 10; 127(31):11029-36.
    View PubMed
  102. Li WM, Pi RB, Chan HHN, Fu HJ, Lee NTK, Tsang HW, Pu YM, Chang DC, Li CY, Luo JL, Xiong KM, Li ZW, Xue H, Carlier PR, Pang YP, Tsim KWK, Li MT, Han YF. Novel dimeric acetylcholinesterase inhibitor bis(7)-tacrine, but not donepezil, prevents glutamate-induced neuronal apoptosis by blocking N-methyl-D-aspartate receptors. J Biol Chem. 2005 May 6; 280(18):18179-88.
    View PubMed
  103. Patani GA, Pang YP, Chien YW. A Potent and Selective Tacrine Analog - Biomembrane Permeation and Physicochemical Characterization. Pharm Dev Technol. 2005; 10:525-538.
    View PubMed
  104. Pang YP. Three-dimensional model of a substrate-bound SARS chymotrypsin-like cysteine proteinase predicted by multiple molecular dynamics simulations: catalytic efficiency regulated by substrate binding. Proteins. 2004 Dec 1; 57 (4):747-57
    View PubMed
  105. Grossmann ME, Madden BJ, Gao F, Pang YP, Carpenter JE, McCormick D, Young CY. Proteomics shows Hsp70 does not bind peptide sequences indiscriminately in vivo. Exp Cell Res. 2004 Jul 01; 297: (1)108-17.
    View PubMed
  106. Luo JL, Zhang J, Guan BC, Pang YP, Han YF, Li ZW. Inhibition by bis(7)-tacrine of 5-HT-activated current in rat TG neurons. Neuroreport. 2004 Jun 7; 15(8):1335-8.
    View PubMed
  107. Pang YP. Nonbonded bivalence approach to cell-permeable molecules that target DNA sequences. Bioorg Med Chem. 2004 Jun 1; 12(11):3063-8.
    View PubMed
  108. Park JG, Langenwalter KJ, Weinbaum CA, Casey PJ, Pang YP. Improved loading and cleavage methods for solid-phase synthesis using chlorotrityl resins: synthesis and testing of a library of 144 discrete chemicals as potential farnesyltransferase inhibitors. J Comb Chem. 2004 May-Jun; 6 (3):407-13
    View PubMed
  109. Bienengraeber M, Olson TM, Selivanov VA, Kathmann EC, O'Cochlain F, Gao F, Karger AB, Ballew JD, Hodgson DM, Zingman LV, Pang YP, Alekseev AE, Terzic A. ABCC9 mutations identified in human dilated cardiomyopathy disrupt catalytic KATP channel gating. Nat Genet. 2004 Apr; 36 (4):382-7 Epub 2004 Mar 21
    View PubMed
  110. Hammond PI, Kern C, Hong F, Kollmeyer TM, Pang YP, Brimijoin S. Cholinesterase reactivation in vivo with a novel bis-oxime optimized by computer-aided design. J Pharmacol Exp Ther. 2003 Oct; 307 (1):190-6 Epub 2003 July 31
    View PubMed
  111. Pang YP, Kumar GA, Zhang JS, Urrutia R. Differential binding of Sin3 interacting repressor domains to the PAH2 domain of Sin3A. FEBS Lett. 2003 Jul 31; 548 (1-3):108-12
    View PubMed
  112. Pang YP, Kollmeyer TM, Hong F, Lee JC, Hammond PI, Haugabouk SP, Brimijoin S, Brimijoin S. Rational design of alkylene-linked bis-pyridiniumaldoximes as improved acetylcholinesterase reactivators. Chem Biol. 2003 Jun; 10 (6):491-502
    View PubMed
  113. Wong DM, Greenblatt HM, Dvir H, Carlier PR, Han YF, Pang YP, Silman I, Sussman JL. Acetylcholinesterase complexed with bivalent ligands related to huperzine A: Experimental evidence for species-dependent protein-ligand complementarity. J Am Chem Soc. 2003 Jan 15; 125(2):363-73.
    View PubMed
  114. Zhang JC, Donate F, Qi XP, Ziats NP, Juarez JC, Mazar AP, Pang YP, McCrae KR. The antiangiogenic activity of cleaved high molecular weight kininogen is mediated through binding to endothelial cell tropomyosin. Proc Natl Acad Sci U S A. 2002 Sep 17; 99(19):12224-9.
    View PubMed
  115. Sun H, Sun H, Pang YP, Lockridge O, Brimijoin S, Brimijoin S. Re-engineering butyrylcholinesterase as a cocaine hydrolase. Mol Pharmacol. 2002 Aug; 62 (2):220-4
    View PubMed
  116. Sun H, Shen ML, Sun H, Pang YP, Lockridge O, Brimijoin S, Brimijoin S. Cocaine metabolism accelerated by a re-engineered human butyrylcholinesterase. J Pharmacol Exp Ther. 2002 Aug; 302 (2):710-6
    View PubMed
  117. Pan SY, Han YF, Carlier PR, Pang YP, Mak DHF, Lam BYH, Ko KM. Schisandrin B protects against tacrine- and bis(7)-tacrine-induced hepatotoxicity and enhances cognitive function in mice. Planta Med. 2002 Mar; 68(3):217-20.
    View PubMed
  118. Pang YP, Perola E, Xu K, Prendergast FG. EUDOC: a computer program for identification of drug interaction sites in macromolecules and drug leads from chemical databases. J Comput Chem. 2001 Nov 30; 22 (15):1750-1771
    View PubMed
  119. Pang YP. Successful molecular dynamics simulation of two zinc complexes bridged by a hydroxide in phosphotriesterase using the cationic dummy atom method. Proteins. 2001 Nov 15; 45 (3):183-9
    View PubMed
  120. Pang YP, Zheng XE, Weinshilboum RM. Theoretical 3D model of histamine N-methyltransferase: insights into the effects of a genetic polymorphism on enzymatic activity and thermal stability. Biochem Biophys Res Commun. 2001 Sep 14; 287(1):204-8.
    View PubMed
  121. Pang YP, Xu K, Kollmeyer TM, Perola E, McGrath WJ, Green DT, Mangel WF. Discovery of a new inhibitor lead of adenovirus proteinase: steps toward selective, irreversible inhibitors of cysteine proteinases. FEBS Lett. 2001 Aug 3; 502 (3):93-7
    View PubMed
  122. Lewis S, Karrer J, Saleh S, Chan X, Tan Z, Hua D, McGill J, Pang YP, Fenwick B, Brightman A, Takemoto D. Synthesis and evaluation of novel aldose reductase inhibitors: Effects on lens protein kinase Cgamma. Mol Vis. 2001 Jul 18(7):164-71.
  123. El Yazal J, Pang YP. Comparison of DFT, Moller-Plesset, and coupled cluster calculations of the proton dissociation energies of imidazole and N-methylacetamide in the presence of zinc(II). Theochem. 2001 Jul 9(545):271-274.
  124. Mangel WF, McGrath WJ, Brown MT, Baniecki ML, Barnard DL, Pang YP. A new form of antiviral combination therapy predicted to prevent resistance from arising, and a model system to test it. Curr Med Chem. 2001 Jul; 8(8):933-9.
    View PubMed
  125. Ros E, Aleu J, Gomez de Aranda I, Canti C, Pang YP, Marsal J, Solsona C. Effects of bis(7)-tacrine on spontaneous synaptic activity and on the nicotinic ACh receptor of Torpedo electric organ. J Neurophysiol. 2001 Jul; 86(1):183-9.
    View PubMed
  126. Sun H, El Yazal J, Lockridge O, Schopfer LM, Brimijoin S, Pang YP. Predicted Michaelis-Menten complexes of cocaine-butyrylcholinesterase. Engineering effective butyrylcholinesterase mutants for cocaine detoxication. J Biol Chem. 2001 Mar 23; 276 (12):9330-6 Epub 2000 Dec 04
    View PubMed
  127. Thompson MA, Weinshilboum RM, El Yazal J, Wood TC, Pang YC. Rabbit indolethylamine N-methyltransferase three-dimensional structure prediction: a model approach to bridge sequence to function in pharmacogenomic studies. Journal of Molecular Modeling. 2001; 7(9):324-333.
  128. El Yazal J, Prendergast FG, Shaw DE, Pang YP. Protonation states of the chromophore of denatured green fluorescent proteins predicted by ab initio calculations. J Am Chem Soc. 2000 Nov 22; 122(46):11411-5.
  129. Pang YP, Xu K, Yazal JE, Prendergas FG. Successful molecular dynamics simulation of the zinc-bound farnesyltransferase using the cationic dummy atom approach. Protein Sci. 2000 Oct; 9 (10):1857-65
    View PubMed
  130. Cusack B, Jansen K, McCormick DJ, Chou T, Pang Y, Richelson E. A single amino acid of the human and rat neurotensin receptors (subtype 1) determining the pharmacological profile of a species-selective neurotensin agonist. Biochem Pharmacol. 2000 Sep 15; 60 (6):793-801
    View PubMed
  131. Xiao XQ, Lee NT, Carlier PR, Pang Y, Han YF. Bis(7)-tacrine, a promising anti-Alzheimer's agent, reduces hydrogen peroxide-induced injury in rat pheochromocytoma cells: comparison with tacrine. Neurosci Lett. 2000 Sep 1; 290(3):197-200.
    View PubMed
  132. El Yazal J, Roe RR, Pang YP. Zinc's affect on proton transfer between imidazole and acetate predicted by ab initio calculations. J Phys Chem B. 2000 Jul 20; 104(28):6662-7.
  133. Han YF, Wu DC, Xiao XA, Chen PMY, Chung W, Lee NTK, Pang YP, Carlier PR. Protection against ischemic injury in primary cultured astrocytes of mouse cerebral cortex by bis(7)-tacrine, a novel anti-Alzheimer's agent. Neurosci Lett. 2000 Jul 14; 288(2):95-98.
    View PubMed
  134. El Yazal J, Pang YP. Proton dissociation energies of zinc-coordinated hydroxamic acids and their relative affinities for zinc: insight into design of inhibitors of zinc- containing proteinases. J Phys Chem B. 2000 Jul 13; 104(27):6499-6504.
  135. Bible KC, Bible RH Jr, Kottke TJ, Svingen PA, Xu K, Pang YP, Hajdu E, Kaufmann SH. Flavopiridol binds to duplex DNA. Cancer Res. 2000 May 1; 60 (9):2419-28
    View PubMed
  136. Liu J, Ho W, Lee NT, Carlier PR, Pang Y, Han Y. Bis(7)-tacrine, a novel acetylcholinesterase inhibitor, reverses AF64A-induced deficits in navigational memory in rats. Neurosci Lett. 2000 Mar 24; 282(3):165-8.
    View PubMed
  137. Perola E, Xu K, Kollmeyer TM, Kaufmann SH, Prendergast FG, Pang YP. Successful virtual screening of a chemical database for farnesyltransferase inhibitor leads. J Med Chem. 2000 Feb 10; 43 (3):401-8
    View PubMed
  138. Carlier PR, Du DM, Han YF, Liu J, Perola E, Williams ID, Pang YP. Dimerization of an inactive fragment of huperzine A produces a drug with twice the potency of the natural product. Angewandte Chemie. 2000; 39(10):1775-1777.
    View PubMed
  139. Han YF, Li CP, Chow E, Wang H, Pang YP, Carlier PR. Dual-site binding of bivalent 4-aminopyridine- and 4-aminoquinoline-based AChE inhibitors: contribution of the hydrophobic alkylene tether to monomer and dimer affinities. Bioorg Med Chem. 1999 Nov; 7(11):2569-75.
    View PubMed
  140. El Yazal J, Pang YP. Ab initio calculations of proton dissociation energies of zinc ligands: hypothesis of imidazolate as zinc ligand in proteins. J Phys Chem B. 1999 Oct 14; 103(41):8773-8779.
  141. El Yazal J, Pang YP. Novel stable configurations and tautomers of the neutral and deprotonated hydroxamic acids predicted from high-level Ab initio calculations. J Phys Chem. 1999 Oct 14; 103(41):8346-8350.
  142. Carlier PR, Chow ES, Han Y, Liu J, El Yazal J, Pang YP. Heterodimeric tacrine-based acetylcholinesterase inhibitors: investigating ligand-peripheral site interactions. J Med Chem. 1999 Oct 7; 42(20):4225-31.
    View PubMed
  143. Carlier PR, Du DM, Han Y, Liu J, Pang YP. Potent, easily synthesized huperzine A-tacrine hybrid acetylcholinesterase inhibitors. Bioorg Med Chem Lett. 1999 Aug 16; 9(16):2335-8.
    View PubMed
  144. Marszalek PE, Pang YP, Li H, El Yazal J, Oberhauser AF, Fernandez JM. Atomic levers control pyranose ring conformations. Proc Natl Acad Sci U S A. 1999 Jul 6; 96 (14):7894-8
    View PubMed
  145. Tyler BM, Douglas CL, Fauq A, Fauq A, Pang YP, Stewart JA, Cusack B, McCormick DJ, Richelson E. In vitro binding and CNS effects of novel neurotensin agonists that cross the blood-brain barrier. Neuropharmacology. 1999 Jul; 38 (7):1027-34
    View PubMed
  146. Wang H, Carlier PR, Ho WL, Wu DC, Lee NT, Li CP, Pang YP, Han YF. Effects of bis(7)-tacrine, a novel anti-Alzheimer's agent, on rat brain AChE. Neuroreport. 1999 Mar 17; 10(4):789-93.
    View PubMed
  147. Li CY, Wang H, Xue H, Carlier PR, Hui KM, Pang YP, Li ZW, Han YF. Bis(7)-tacrine, a novel dimeric AChE inhibitor, is a potent GABA(A) receptor antagonist. Neuroreport. 1999 Mar 17; 10(4):795-800.
    View PubMed
  148. Pang Y, Miller J, Kollman P. Computational and experimental studies of (2,2)-bis(indol-1-yl-methyl)acetate suggest the importance of the hydrophobic effect in aromatic stacking interactions. Journal of the American Chemical Society. 1999 Mar 3; 121(8):1717-25.
  149. Wang H, Carlier PR, Ho WL, Lee NT, Pang YP, Han YF. Attenuation of scopolamine-induced deficits in navigational memory performance in rats by bis(7)-tacrine, a novel dimeric AChE inhibitor. Chung-Kuo Yao Li Hsueh Pao - Acta Pharmacologica Sinica. 1999 Mar; 20(3):211-7.
    View PubMed
  150. Carlier PR, Han YF, Chow ES, Li CP, Wang H, Lieu TX, Wong HS, Pang YP. Evaluation of short-tether bis-THA AChE inhibitors. A further test of the dual binding site hypothesis. Bioorg Med Chem. 1999 Feb; 7(2):351-7.
    View PubMed
  151. Roe RR, Pang YP. Zinc's exclusive tetrahedral coordination governed by its electronic structure. Journal of Molecular Modeling. 1999; 5(7-8):134-140.
  152. Pang YP. Novel zinc protein molecular dynamics simulations: steps toward antiangiogenesis for cancer treatment. Journal of Molecular Modeling. 1999; 5(10):196-202.
  153. Xu K, Perola E, Prendergast FG, Pang YP. Models of ternary complexes for nonpeptidic farnesyltransferase inhibitors: insights into structure-based screen and design of potential anticancer therapeutics. Journal of Molecular Modeling. 1999; 5(10):203-217.
  154. Marszalek PE, Oberhauser AF, Pang YP, Fernandez JM. Polysaccharide elasticity governed by chair-boat transitions of the glucopyranose ring. Nature. 1998 Dec 17; 396: (6712)661-4.
    View PubMed
  155. Fauq AH, Hong F, Cusack B, Tyler BM, Ping-Pang Y, Richelson E. Synthesis of (2S)-2-amino-3-(1h-4-indolyl)propanoic acid, a novel tryptophan analog for structural modification of bioactive peptides. Tetrahedron, Asymmetry. 1998 Dec 11; 9(23):4127-4134.
  156. Pang YP, Brimijoin S. Supercomputing-based dimeric analog approach for drug optimization. Parallel Comput. 1998 Sep; 24(9-10):1557-1566.
  157. Hong F, Zaidi J, Pang YP, Cusack B, Richelson E. Design, synthesis and pharmacological evaluation of active pyrrole based, nonpeptidic analogues of neurotensin(8-13). J Chem Soc Perkin Trans 1. 1997 Oct 21; (20)2997-3003.
  158. Hong F, Pang YP, Cusack B, Richelson E. Design, synthesis and pharmacological test of a quinoline based, nonpeptidic analogue of neurotensin(8-13). J Chem Soc Perkin Trans 1. 1997 Jul 21; (14)2083-8.
  159. Pang YP, Hong F, Quiram P, Jelacic T, Brimijoin S. Synthesis of alkylene linked bis-THA and alkylene linked benzyl-THA as highly potent and selective inhibitors and molecular probes of acetylcholinesterase. J Chem Soc Perkin Trans. 1997 Jan 21(2):171-6.
  160. Pang YP, Silva ND, Haydock C, Prendergast FG. Docking studies on the complexed and uncomplexed FKBP12 structures with bound and unbound ligands - an implication of a conformational selection mechanism for binding. Journal of Molecular Modeling. 1997; 3(7):240-248.
  161. Raves M, Harel M, Pang Y, Silman I, Kozikowski A, Sussman J. Structure of acetylcholinesterase complexed with the nootropic alkaloid (-)-huperzine A. Nature Structural Biology. 1997 Jan; 4(1):57-63.
    View PubMed
  162. Pang YP, Quiram P, Jelacic T, Hong F, Brimijoin S, Brimijoin S. Highly potent, selective, and low cost bis-tetrahydroaminacrine inhibitors of acetylcholinesterase. Steps toward novel drugs for treating Alzheimer's disease. J Biol Chem. 1996 Sep 27; 271 (39):23646-9
    View PubMed
  163. Cusack B, Groshan K, McCormick DJ, Pang YP, Perry R, Phung CT, Souder T, Richelson E. Chimeric rat/human neurotensin receptors localize a region of the receptor sensitive to binding of a novel, species-specific, picomolar affinity peptide. J Biol Chem. 1996 Jun 21; 271 (25):15054-9
    View PubMed
  164. Pang YP, Cusack B, Groshan K, Richelson E. Proposed ligand binding site of the transmembrane receptor for neurotensin(8-13). J Biol Chem. 1996 Jun 21; 271 (25):15060-8
    View PubMed
  165. Cusack B, McCormick DJ, Pang YP, Souder T, Garcia R, Fauq A, Fauq A, Richelson E. Pharmacological and biochemical profiles of unique neurotensin 8-13 analogs exhibiting species selectivity, stereoselectivity, and superagonism. J Biol Chem. 1995 Aug 4; 270 (31):18359-66
    View PubMed
  166. Kozikowski AP, Dodd DS, Zaidi J, Pang YP, Cusack B, Richelson E. Synthesis of partial non-peptidic peptide mimetics as potential neurotensin agonists and antagonists. J Chem Soc Perkin Trans 1. 1995 Jun 21; 1615-21.
  167. Pang YP, Kollman PA. Applications of free energy derivatives to analog design. Perspectives in Drug Discovery and Design. 1995; 3:106-122.
  168. Pang YP, Kozikowski AP. Prediction of the binding site of 1-benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]piperidine in acetylcholinesterase by docking studies with the SYSDOC program. J Comput Aided Mol Des. 1994 Dec; 8 (6):683-93
    View PubMed
  169. Pang YP, Kozikowski AP. Prediction of the binding sites of huperzine A in acetylcholinesterase by docking studies. J Comput Aided Mol Des. 1994 Dec; 8 (6):669-81
    View PubMed
  170. Saxena A, Qian N, Kovach IM, Kozikowski AP, Pang YP, Vellom DC, Radic Z, Quinn D, Taylor P, Doctor BP. Identification of amino acid residues involved in the binding of Huperzine A to cholinesterases. Protein Sci. 1994 Oct; 3(10):1770-8.
    View PubMed
  171. Pang YP, Zaidi J, Kozikowski AP, Cusack B, Richelson E. Rational design of novel neurotensin mimetics: discovery of a pharmacologically unprecedented agent exhibiting concentration-dependent dual effects as antagonist and full agonist. J Comput Aided Mol Des. 1994 Aug; 8 (4):433-40
    View PubMed
  172. Cusack B, Richelson E, Pang YP, Zaidi J, Kozikowski AP. Pharmacological studies on novel neurotensin mimetics: discovery of a pharmacologically unique agent exhibiting concentration-dependent dual effects as antagonist and agonist. Mol Pharmacol. 1993 Nov; 44(5):1036-40.
    View PubMed
  173. Kozikowski AP, Ma D, Shum P, Pang YP, Likic V, Mishra PK, Macura S, Basu A, Lazo JS, Ball RG. Synthesis, molecular modeling, 2D-NMR, and biological evaluation of ilv-mimics as potential modulators of protein kinase C (PKC). J Am Chem Soc. 1993; 115:3957-65.
  174. Chen C, Kozikowski AP, Wood PL, Reynolds IJ, Ball RG, Pang YP. Synthesis and biological activity of 8a-phenyldecahydroquinolines as probes of PCP's binding conformation. A new PCP-like compound with increased in vivo potency. J Med Chem. 1992 May 1; 35 (9):1634-8
    View PubMed
  175. Kozikowski AP, Yamada F, Pang YP. Synthesis of and 2D NMR analysis of a cyclopropane containing analogue of huperzine A. Tetrahedron Lett. 1992; 33:2653-2656.
  176. Kozikowski AP, Miller CP, Yamada F, Pang YP, Miller JH, McKinney M, Ball RG, McKinney M. Delineating the pharmacophoric elements of huperzine A: importance of the unsaturated three-carbon bridge to its AChE inhibitory activity. J Med Chem. 1991 Dec; 34 (12):3399-402
    View PubMed
  177. Pang YP, Kozikowski AP. Synthesis of methoxy and hydroxy analogues of 1,2,3,4,4a,9a-hexahydro-4a-fluorenamine--rigid phencyclidine analogues as probes of PCP receptor topography. J Org Chem. 1991; 56:4499-4508.
    View PubMed
  178. Yamada F, Kozikowski AP, Reddy ER, Pang YP, Miller JH, McKinney M. A route to optically pure (-)-huperzine A; molecular modeling and in vitro pharmacology. J Am Chem Soc. 1991; 113:4695-4696.
  179. Kozikowski AP, Pang YP. Structural determinants of affinity for the phencyclidine binding site of the N-methyl-D-aspartate receptor complex: discovery of a rigid phencyclidine analogue of high binding affinity. Mol Pharmacol. 1990 Mar; 37(3):352-7.
    View PubMed
  180. Kozikowski AP, Pang YP. Synthesis and chemical resolution of a novel class of rigid PCP analogues. Synlett. 1990; 1:58-63.