Molecular docking investigation of the binding interactions of macrocyclic inhibitors with HCV NS3 protease and its mutants (R155K, D168A and A156V)

Protein Journal

Volumn 33, Issue 1, 2014, Pages 32-47

  Ezat, Ahmed A ^a   El Bialy, Nihal S ^a   Mostafa, Hamdy I A ^a   Ibrahim, Medhat A ^b  

^a CAIRO UNIVERSITY   (Egypt)

^b NATIONAL RESEARCH CENTRE   (Egypt)

Author keywords

Drug resistance; HCV; Macrocyclic and NS3 protease; Molecular docking; Substrate envelope

Indexed keywords

HEXAPEPTIDE; MACROCYCLIC COMPOUND; NONSTRUCTURAL PROTEIN 3;

ARTICLE; BINDING SITE; DRUG PROTEIN BINDING; DRUG STRUCTURE; HEPATITIS C VIRUS; MOLECULAR DOCKING; NONHUMAN; PROTEIN CONFORMATION; PROTEIN POLYMORPHISM; PROTEIN STRUCTURE; SCORING SYSTEM; SEQUENCE ANALYSIS;

HEPATITIS C VIRUS;

ANTIVIRAL AGENTS; BINDING SITES; CATALYTIC DOMAIN; DRUG RESISTANCE, VIRAL; HEPACIVIRUS; HUMANS; MACROCYCLIC COMPOUNDS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MUTATION; PROTEASE INHIBITORS; VIRAL NONSTRUCTURAL PROTEINS;

EID: 84898601907     PISSN: 15723887     EISSN: 15734943     Source Type: Journal    
DOI: 10.1007/s10930-013-9538-6     Document Type: Article

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