In Silico identification and evaluation of leads for the simultaneous inhibition of protease and helicase activities of HCV NS3/4A protease using complex based pharmacophore mapping and virtual screening

PLoS ONE

Volumn 9, Issue 2, 2014, Pages

  Wadood, Abdul ^a   Riaz, Muhammad ^a   Uddin, Reaz ^b   Ul Haq, Zaheer ^b  

^a ABDUL WALI KHAN UNIVERSITY   (Pakistan)

^b UNIVERSITY OF KARACHI   (Pakistan)

Author keywords

[No Author keywords available]

Indexed keywords

HELICASE; MOLECULAR SCAFFOLD; NS3 4A PROTEASE; PROTEINASE; PROTEINASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; COMPUTER MODEL; CRYSTAL STRUCTURE; DRUG IDENTIFICATION; DRUG POTENCY; DRUG SCREENING; DRUG STRUCTURE; ENZYME ACTIVITY; ENZYME INHIBITION; HEPATITIS C VIRUS; HYDROGEN BOND; HYDROPHOBICITY; LIGAND BINDING; MOLECULAR DOCKING; NONHUMAN; PHARMACOPHORE; PROTEIN BINDING; VALIDATION STUDY;

ANTIVIRAL AGENTS; CATALYTIC DOMAIN; DATABASES, CHEMICAL; DRUG DESIGN; HEPACIVIRUS; HIGH-THROUGHPUT SCREENING ASSAYS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEASE INHIBITORS; USER-COMPUTER INTERFACE; VIRAL NONSTRUCTURAL PROTEINS;

EID: 84895745446     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0089109     Document Type: Article

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