Structure-based and ligand-based drug design for microsomal prostaglandin e synthase-1 inhibitors

Molecular Simulation

Volumn 37, Issue 3, 2011, Pages 226-236

  Li, Chia Ling ^a   Chang, Tung Ti ^a   Sun, Mao Feng ^a   Chen, Hsin Yi ^b   Tsai, Fuu Jen ^a,b   Fisher, Mark ^c   Chen, Calvin Yu Chian ^b,d,e   Lee, Chun Lin ^f   Fang, Wen Chang ^f   Wong, Yung Hao ^d  

^a CHINA MEDICAL UNIVERSITY HOSPITAL   (Taiwan)

^b ASIA UNIVERSITY   (Taiwan)

^c HARVARD MIT DIVISION OF HEALTH SCIENCES AND TECHNOLOGY   (United States)

^d CHINA MEDICAL UNIVERSITY   (Taiwan)

^e Massachusetts Institute of Technology Cambridge   (United States)

^f NATIONAL TAIPEI UNIVERSITY   (Taiwan)

Author keywords

database; docking traditional Chinese medicine; microsomal prostaglandin E synthase 1; QSAR

Indexed keywords

ACTIVE SITE RESIDUES; BINDING AFFINITIES; COEFFICIENT VALUES; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; CONTOUR PLOT; DATABASE; DRUG DESIGN; GLUTATHIONES; MICROSOMAL PROSTAGLANDIN; MICROSOMAL PROSTAGLANDIN E SYNTHASE-1; MPGES-1; NATURAL PRODUCTS; QSAR; STRUCTURE-BASED; SYNTHASES; TARTARIC ACIDS; TRADITIONAL CHINESE MEDICINE; TRAINING SETS; VIRTUAL SCREENING;

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; DATABASE SYSTEMS; MEDICINE;

ENZYME INHIBITION;

EID: 79952681062     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2010.538054     Document Type: Article

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