請用此 Handle URI 來引用此文件: http://hdl.handle.net/11455/16915
標題: Molecular Dockings of Carbamates into Penicillinase and Cage Compounds into Acetyl-and Butyryl-cholinesterases
氨基甲酸化合物抑制青黴素酶與籠狀化合物抑制乙和丁醯膽鹼酯酵素之分子對接研究
作者: 翁姿婷
Weng, Tzu-Ting
關鍵字: Molecular Dockings
青黴素酶乙和丁醯膽鹼酯酵素
Penicillinase
Acetyl-and Butyryl-cholinesterases
出版社: 化學系所
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QUINN, Acetylcholinesterase: Enzyme Structure, Reaction Dynamics, and Virtual Transition States; Chem. Rev., 1987. 955-979 15. A. Silver, The Biology of Cholinesterases, Elsevier, Asterdam, 1974 16. E. STEDMAN, L. H. EASSON, Choline esterase. An enzyme present in the bloodserum of the horse, Biochem. J., 26, 1932, 2056-2066 17. B. Mendel, H. Rudney, Studies on cholinesterase: Cholinesterase and pseudo-cholinesterase, Biochem J., 37, 1943, 59–63 18. G. L. Lin, W. C. Liaoa and S. Y. Chiou, Quantitative structure–activity relationships for the pre-steady-state inhibition of cholesterol esterase by 4-nitrophenyl-n- substituteedcarbamates, Bioorg. Med. Chem., 2000, 2601-2607 19. O. Lockridge, H. W. Eckerson, B. N. La Du, Interchain disulfide bonds and subunit organization in human serum cholinesterase. J Biol Chem., 1979, 254, 8324–8330 20. Lockridge, O. et al. Complete amino acid sequence of human serum cholinesterase, J. Biol. Chem.,1987,262, 549–557 21. 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Refined crystal structure of beta-lactamase from Citrobacterfreundii indicates a mechanism for beta-lactam hydrolysis, Nature, 1990 , 343, 284-288 27. W. Charles, M. D. Stratton, The Role of 13-Lactamases, AIDIEX, 15, 17-28, 1996 28. Z. Wang, W. Fast, A. M. Valentine, and S. J. Benkovic, Metallo-β-lactamase: structure and mechanism, Curr. Opin. Chem. Biol., 3, 1999, 614-622 29. Schmidt, J. ;Pollack, C.V. Antibiotic use in the emergency department. J. Emerg Med. 1996, 14, 483-496. 30. Medeiros, A.A. Evolution and dissemination of β-lactamase accelerated by generation of β-lactamase antibiotics.Clin Infect Dis. 1997, 24, 19- 45. 31. 賴毓璿。長鏈氨基甲酸類化合物對凝血酶及青黴素酶抑制機理之研究。國立中興大學化學研究所碩士論文。2005。 32. Morris, G. M., Goodsell, D. S., Halliday, R.S., Huey, R., Hart, W. E., Belew, R. K. and Olson, A. J. (1998), Automated Docking Using a Lamarckian Genetic Algorithm and and Empirical Binding Free Energy FunctionJ. Computational Chemistry, 19: 1639-1662. 33. Goldblum*, B.G.a.A., High quality binding modes in docking ligands to proteins. Proteins, 2008. 71: p. 1373–1386. 34. http://dock.compbio.ucsf.edu/ 35. Connolly, M. L. Science 1983, 221, 709. 36. "Automated Docking Using a Lamarckian Genetic Algorithm and and Empirical Binding Free Energy Function", J. Computational Chemistry, 19: 1639-1662 37. http://autodock.scripps.edu/resources/science/equations 38. Blind docking of drug-sized compounds to proteins with up to a thousand residues" FEBS Letters 580: 1447-1450 39. AutoDock has been widely-used and there are many examples of its successful application in the literature (see References ); in 2006, AutoDock was the most cited docking software . 40. Bioorganic & Medicinal Chemistry Letters 13 (2003) 2887–2890 41. 王筠喬;芳香族氨基甲酸類化合物對凝血酶及青黴素酶抑制機理之研究。國立中興大學化學研究所碩士論文。 42. 賴毓璿。長鏈氨基甲酸類化合物對凝血酶及青黴素酶抑制機理之研究。國立中興大學化學研究所碩士論文。2005。
摘要: 摘要 將氨基甲酸(carbamates) 分子對接於青黴素酶(Penicillinase)的X-射線結晶,預測結果與文獻上動力學實驗數據相左。將籠狀化合物分子對接於老鼠的乙醯膽鹼酯酵素和人類的丁醯膽鹼酯酵素的X-射線結晶,預測結果與文獻上動力學實驗數據相佐證。
Abstract Molecular docking of carbamates into the X-ray crystal structure of penicillinase confirmed the experimental results from the literature. Molecular dockings of cage compounds into the X-ray crystal structures of mouse acetylcholinesterase and human butyrylcholinesterase confirmed those experimental kinetic data from the literature.
URI: http://hdl.handle.net/11455/16915
其他識別: U0005-2706201216573800
文章連結: http://www.airitilibrary.com/Publication/alDetailedMesh1?DocID=U0005-2706201216573800
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