Molecular principle of topotecan resistance by topoisomerase i mutations through molecular modeling approaches

Journal of Chemical Information and Modeling

Volumn 53, Issue 4, 2013, Pages 997-1006

  Pan, Peichen ^a   Li, Youyong ^a   Yu, Huidong ^a   Sun, Huiyong ^a   Hou, Tingjun ^a,b  

^a SOOCHOW UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BIOINFORMATICS; COMPUTATIONAL CHEMISTRY; DISEASES; DRUG PRODUCTS; FREE ENERGY; MOLECULAR DYNAMICS;

BINDING AFFINITIES; BINDING FREE ENERGY; COMPUTATIONAL APPROACH; DNA TOPOISOMERASE I; ENERGY CONTRIBUTION; INHIBITORY ACTIVITY; MOLECULAR DYNAMICS SIMULATIONS; STEERED MOLECULAR DYNAMICS;

BINDING ENERGY;

ANTINEOPLASTIC AGENT; DNA TOPOISOMERASE; DNA TOPOISOMERASE INHIBITOR; LIGAND; TOPOTECAN;

ARTICLE; BINDING SITE; CHEMISTRY; DRUG RESISTANCE; GENETICS; HUMAN; KINETICS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MUTATION; PROTEIN BINDING; THERMODYNAMICS;

ANTINEOPLASTIC AGENTS, PHYTOGENIC; BINDING SITES; DNA TOPOISOMERASES, TYPE I; DRUG RESISTANCE, NEOPLASM; HUMANS; KINETICS; LIGANDS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MUTATION; PROTEIN BINDING; THERMODYNAMICS; TOPOISOMERASE I INHIBITORS; TOPOTECAN;

EID: 84876549284     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400066x     Document Type: Article

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