Pharmacophore-based 3DQSAR and molecular docking studies to identify new non-peptidic inhibitors of cathepsin S

Current Medicinal Chemistry

Volumn 21, Issue 16, 2014, Pages 1910-1921

  Battu, M B ^a   Chandra, A M ^a   Sriram, D ^a   Yogeeswari, P ^a  

^a BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE   (India)

Author keywords

3D QSAR; Cathepsin S; Pharmacokinetics; Pharmacophore modeling; Virtual screening

Indexed keywords

AMINO ACID; CATHEPSIN S; CATHEPSIN S INHIBITOR; CATHEPSIN; ENZYME INHIBITOR;

ARTICLE; CELL MEMBRANE PERMEABILITY; CORRELATION COEFFICIENT; DRUG ABSORPTION; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG IDENTIFICATION; DRUG METABOLISM; DRUG SCREENING; DRUG STRUCTURE; HYDROGEN BOND; IC 50; MOLECULAR DOCKING; MOLECULAR MODEL; PARTIAL LEAST SQUARES REGRESSION; PHARMACOKINETICS; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL ANALYSIS; VIRTUAL REALITY; ANTAGONISTS AND INHIBITORS; VALIDATION STUDY;

CATHEPSINS; ENZYME INHIBITORS; MOLECULAR DOCKING SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84899858850     PISSN: 09298673     EISSN: 1875533X     Source Type: Journal    
DOI: 10.2174/09298673113206660275     Document Type: Article

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