In Silico Investigation of Traditional Chinese Medicine Compounds to Inhibit Human Histone Deacetylase 2 for Patients with Alzheimer’s Disease

作者: Tzu-Chieh Hung , Wen-Yuan Lee , Kuen-Bao Chen , Yueh-Chiu Chan , Cheng-Chun Lee

DOI: 10.1155/2014/769867

关键词:

摘要: … ’s largest Traditional Chinese Medicine (TCM) database for … to select the ten top TCM candidates. We used three … ), to predict the bioactivity of the TCM candidates. Molecular dynamics …

参考文章(58)
SH Chen, HM Wu, B Ossola, N Schendzielorz, BC Wilson, CH Chu, SL Chen, Q Wang, D Zhang, L Qian, X Li, JS Hong, RB Lu, Suberoylanilide hydroxamic acid, a histone deacetylase inhibitor, protects dopaminergic neurons from neurotoxin-induced damage. British Journal of Pharmacology. ,vol. 165, pp. 494- 505 ,(2012) , 10.1111/J.1476-5381.2011.01575.X
Julien Giustiniani, Marlène Sineus, Elodie Sardin, Omar Dounane, Maï Panchal, Véronique Sazdovitch, Charles Duyckaerts, Béatrice Chambraud, Etienne-Emile Baulieu, Decrease of the Immunophilin FKBP52 Accumulation in Human Brains of Alzheimer's Disease and FTDP-17 Journal of Alzheimer's Disease. ,vol. 29, pp. 471- 483 ,(2012) , 10.3233/JAD-2011-111895
Berk Hess, Carsten Kutzner, David van der Spoel, Erik Lindahl, GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation Journal of Chemical Theory and Computation. ,vol. 4, pp. 435- 447 ,(2008) , 10.1021/CT700301Q
Leonie Welberg, HDAC2 is the one Nature Reviews Neuroscience. ,vol. 10, pp. 471- 471 ,(2009) , 10.1038/NRN2660
Su-Sen Chang, Hung-Jin Huang, Calvin Yu-Chian Chen, High performance screening, structural and molecular dynamics analysis to identify H1 inhibitors from TCM Database@Taiwan Molecular BioSystems. ,vol. 7, pp. 3366- 3374 ,(2011) , 10.1039/C1MB05320E
T A Darden, L G Pedersen, Molecular modeling: an experimental tool. Environmental Health Perspectives. ,vol. 101, pp. 410- 412 ,(1993) , 10.1289/EHP.93101410
C.M. Venkatachalam, X. Jiang, T. Oldfield, M. Waldman, LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites Journal of Molecular Graphics & Modelling. ,vol. 21, pp. 289- 307 ,(2003) , 10.1016/S1093-3263(02)00164-X
Tapio Nuutinen, Tiina Suuronen, Anu Kauppinen, Antero Salminen, Valproic acid stimulates clusterin expression in human astrocytes: Implications for Alzheimer's disease Neuroscience Letters. ,vol. 475, pp. 64- 68 ,(2010) , 10.1016/J.NEULET.2010.03.041
Tsung-Ying Tsai, Kai-Wei Chang, Calvin Yu-Chian Chen, iScreen: world’s first cloud-computing web server for virtual screening and de novo drug design based on TCM database@Taiwan Journal of Computer-aided Molecular Design. ,vol. 25, pp. 525- 531 ,(2011) , 10.1007/S10822-011-9438-9