Identification of curcumin derivatives as human glyoxalase i inhibitors: A combination of biological evaluation, molecular docking, 3D-QSAR and molecular dynamics simulation studies

Bioorganic and Medicinal Chemistry

Volumn 19, Issue 3, 2011, Pages 1189-1196

  Yuan, Minggui ^a   Luo, Minxian ^a   Song, Yao ^b   Xu, Qiu ^a   Wang, Xiaofeng ^b   Cao, Yi ^b   Bu, Xianzhang ^a   Ren, Yanliang ^b   Hu, Xiaopeng ^a  

^a SUN YAT SEN UNIVERSITY   (China)

^b CENTRAL CHINA NORMAL UNIVERSITY   (China)

Author keywords

3D QSAR; Curcumin derivatives; Glyoxalase I; Molecular docking; Molecular dynamic simulations

Indexed keywords

ACEMETACIN; CURCUMIN; FENOPROFEN; INDOMETACIN; KETOPROFEN; LACTOYLGLUTATHIONE LYASE; LYASE INHIBITOR; SULINDAC; TOLMETIN; ZOMEPIRAC;

ARTICLE; BINDING AFFINITY; DRUG SCREENING; DRUG STRUCTURE; ENZYME INHIBITION; INHIBITION KINETICS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR BINDING; SURFACE PROPERTY; VALIDATION PROCESS;

CURCUMIN; DRUG DESIGN; ENZYME INHIBITORS; GENETIC VECTORS; HUMANS; INHIBITORY CONCENTRATION 50; LACTOYLGLUTATHIONE LYASE; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; MOLECULAR TARGETED THERAPY; PLASMIDS; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 79551503883     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2010.12.039     Document Type: Article

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