Best Practices of Computer-Aided Drug Discovery: Lessons Learned from the Development of a Preclinical Candidate for Prostate Cancer with a New Mechanism of Action

Journal of Chemical Information and Modeling

Volumn 57, Issue 5, 2017, Pages 1018-1028

  Ban, Fuqiang ^a   Dalal, Kush ^a   Li, Huifang ^a   LeBlanc, Eric ^a   Rennie, Paul S ^a   Cherkasov, Artem ^a  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; DECISION MAKING; DISEASES; ITERATIVE METHODS; MOLECULAR MODELING; ORGANIC CHEMICALS;

COMPUTER AIDED DRUG DESIGN; COMPUTER-AIDED DRUG DISCOVERY; DECISION MAKING PROCESS; LOW MOLECULAR WEIGHT; MEDICINAL CHEMISTRY; MOLECULAR MODELING TECHNIQUES; SMALL-MOLECULE DRUGS; STRUCTURE ACTIVITY RELATIONSHIPS;

DRUG PRODUCTS;

ANDROGEN RECEPTOR; ANTINEOPLASTIC AGENT;

BINDING SITE; BIOLOGY; CHEMISTRY; DRUG DEVELOPMENT; DRUG EFFECTS; HUMAN; MALE; METABOLISM; MOLECULAR LIBRARY; MOLECULAR MODEL; PHARMACOLOGY; PROSTATE TUMOR; SEQUENCE ALIGNMENT; THERAPEUTIC USE;

ANTINEOPLASTIC AGENTS; BINDING SITES; COMPUTATIONAL BIOLOGY; DRUG DISCOVERY; HUMANS; MALE; MODELS, MOLECULAR; PROSTATIC NEOPLASMS; RECEPTORS, ANDROGEN; SEQUENCE ALIGNMENT; SMALL MOLECULE LIBRARIES;

EID: 85020478839     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.7b00137     Document Type: Review

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