Discovery of new potent inhibitors for carbonic anhydrase IX by structure-based virtual screening

Bioorganic and Medicinal Chemistry Letters

Volumn 23, Issue 12, 2013, Pages 3496-3499

  Wang, Liyan ^a   Yang, Chunmei ^a   Lu, Weiqiang ^a   Liu, Li ^a   Gao, Rui ^a   Liao, Sha ^a   Zhao, Zhenjiang ^a   Zhu, Lili ^a   Xu, Yufang ^a   Li, Honglin ^a   Huang, Jin ^a   Zhu, Weiping ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Carbonic anhydrase inhibitors; Molecular docking; screening; Sulfonamides; Virtual

Indexed keywords

ACETAZOLAMIDE; BENZENESULFONAMIDE DERIVATIVE; CARBONATE DEHYDRATASE II; CARBONATE DEHYDRATASE INHIBITOR; CARBONATE DEHYDRATASE IX; CARBONIC AHYDRASE IX INHIBITOR; ETHOXZOLAMIDE; UNCLASSIFIED DRUG;

ANTINEOPLASTIC ACTIVITY; ARTICLE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; DRUG POTENCY; DRUG SCREENING; DRUG SELECTIVITY; DRUG TARGETING; ERYTHROCYTE; HUMAN; HUMAN CELL; IC 50; IN VITRO STUDY; MOLECULAR DOCKING; REACTION OPTIMIZATION; STRUCTURE ACTIVITY RELATION; VIRTUAL SCREENING;

CARBONIC ANHYDRASE INHIBITORS; DRUG EVALUATION, PRECLINICAL; HUMANS; MOLECULAR DOCKING SIMULATION; STRUCTURE-ACTIVITY RELATIONSHIP; SULFONAMIDES;

EID: 84878115534     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2013.04.048     Document Type: Article

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