Understanding Microscopic Binding of Human Microsomal Prostaglandin E Synthase-1 with Substrates and Inhibitors by Molecular Modeling and Dynamics Simulation
作者： Adel Hamza , Mohamed Diwan M. AbdulHameed , Chang-Guo Zhan
DOI: 10.1021/JP8007688
关键词:
摘要: Microsomal prostaglandin E synthase-1 (mPGES-1) is a promising target for development of next-generation anti-inflammatory drugs. It crucial rational design the anti-infla...
acs.org
core.ac.uk 
sci-hub.se 参考文章(73)
William L. Jorgensen, Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water Journal of the American Chemical Society. ,vol. 103, pp. 335- 340 ,(1981) , 10.1021/JA00392A016
Omar Quraishi, Joseph A. Mancini, Denis Riendeau, Inhibition of inducible prostaglandin E2 synthase by 15-deoxy-Δ12,14-prostaglandin J2 and polyunsaturated fatty acids Biochemical Pharmacology. ,vol. 63, pp. 1183- 1189 ,(2002) , 10.1016/S0006-2952(02)00844-4
Staffan Thorén, Per-Johan Jakobsson, Coordinate up‐ and down‐regulation of glutathione‐dependent prostaglandin E synthase and cyclooxygenase‐2 in A549 cells FEBS Journal. ,vol. 267, pp. 6428- 6434 ,(2000) , 10.1046/J.1432-1327.2000.01735.X
Satoshi Uematsu, Makoto Matsumoto, Kiyoshi Takeda, Shizuo Akira, Lipopolysaccharide-Dependent Prostaglandin E2 Production Is Regulated by the Glutathione-Dependent Prostaglandin E2 Synthase Gene Induced by the Toll-Like Receptor 4/MyD88/NF-IL6 Pathway Journal of Immunology. ,vol. 168, pp. 5811- 5816 ,(2002) , 10.4049/JIMMUNOL.168.11.5811
Annaleise V Sampey, Seetha Monrad, Leslie J Crofford, Microsomal prostaglandin E synthase-1: the inducible synthase for prostaglandin E2 Arthritis Research & Therapy. ,vol. 7, pp. 114- 117 ,(2005) , 10.1186/AR1748
R. Bryan Sutton, Dirk Fasshauer, Reinhard Jahn, Axel T. Brunger, Crystal structure of a SNARE complex involved in synaptic exocytosis at 2.4 Å resolution Nature. ,vol. 395, pp. 347- 353 ,(1998) , 10.1038/26412
Frances C. Bernstein, Thomas F. Koetzle, Graheme J.B. Williams, Edgar F. Meyer, Michael D. Brice, John R. Rodgers, Olga Kennard, Takehiko Shimanouchi, Mitsuo Tasumi, The Protein Data Bank: a computer-based archival file for macromolecular structures. Journal of Molecular Biology. ,vol. 112, pp. 535- 542 ,(1977) , 10.1016/S0022-2836(77)80200-3
Oreola A. T. Donini, Peter A. Kollman, Calculation and prediction of binding free energies for the matrix metalloproteinases. Journal of Medicinal Chemistry. ,vol. 43, pp. 4180- 4188 ,(2000) , 10.1021/JM000040D
Adel Hamza, Chang-Guo Zhan, How can (-)-epigallocatechin gallate from green tea prevent HIV-1 infection? Mechanistic insights from computational modeling and the implication for rational design of anti-HIV-1 entry inhibitors. Journal of Physical Chemistry B. ,vol. 110, pp. 2910- 2917 ,(2006) , 10.1021/JP0550762
Shin-ichi Fujiwara, Takashi Amisaki, Identification of High Affinity Fatty Acid Binding Sites on Human Serum Albumin by MM-PBSA Method Biophysical Journal. ,vol. 94, pp. 95- 103 ,(2008) , 10.1529/BIOPHYSJ.107.111377