QSAR analysis and molecular docking simulation of suggested peptidomimetic NS3 protease inhibitors

Current Computer-Aided Drug Design

Volumn 10, Issue 1, 2014, Pages 28-40

  Mostafa, Hamdy I A ^a   El bialy, Nihal S ^a   Ezat, Ahmed A ^a   Saleh, Noha A ^a   Ibrahim, Medhat A ^b  

^a CAIRO UNIVERSITY   (Egypt)

^b NATIONAL RESEARCH CENTRE   (Egypt)

Author keywords

Docking; HCV; Macrocyclic; NS3 protease; PM3; QSAR

Indexed keywords

PROPANE;

DOCKING; DOCKING SCORE; HCV; HEXAPEPTIDES; MACROCYCLES; MACROCYCLICS; NS3 PROTEASE; PM3; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS ANALYSIS;

COMPUTATIONAL CHEMISTRY;

MACROCYCLIC COMPOUND; NONSTRUCTURAL PROTEIN 3; PEPTIDOMIMETIC AGENT; ANTIVIRUS AGENT; NS3 PROTEIN, HEPATITIS C VIRUS; PROTEINASE INHIBITOR; VIRUS PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER AIDED DESIGN; COMPUTER MODEL; DRUG DESIGN; EXPERIMENTAL MODEL; GEOMETRY; METHODOLOGY; MOLECULAR DOCKING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REACTION OPTIMIZATION; ANTAGONISTS AND INHIBITORS; CHEMISTRY; DRUG EFFECTS; ENERGY TRANSFER; ENZYME ACTIVE SITE; ENZYMOLOGY; HEPACIVIRUS; MOLECULAR WEIGHT;

ANTIVIRAL AGENTS; CATALYTIC DOMAIN; ENERGY TRANSFER; HEPACIVIRUS; MODELS, MOLECULAR; MOLECULAR WEIGHT; PROTEASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; VIRAL NONSTRUCTURAL PROTEINS;

EID: 84901243561     PISSN: 15734099     EISSN: 18756697     Source Type: Journal    
DOI: 10.2174/15734099113096660048     Document Type: Article

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