Pharmacophore modeling, resistant mutant isolation, docking, and MM-PBSA analysis: Combined experimental/computer-assisted approaches to identify new inhibitors of the bovine viral diarrhea virus (BVDV)

Bioorganic and Medicinal Chemistry

Volumn 18, Issue 6, 2010, Pages 2304-2316

  Tonelli, Michele ^a   Boido, Vito ^a   Colla, Paolo La ^b   Loddo, Roberta ^b   Posocco, Paola ^c   Paneni, Maria Silvia ^c   Fermeglia, Maurizio ^c   Pricl, Sabrina ^c  

^a UNIVERSITY OF GENOA   (Italy)

^b UNIVERSITY OF CAGLIARI   (Italy)

^c UNIVERSITY OF TRIESTE   (Italy)

Author keywords

2 Phenylbenzimidazoles; Anti BVDV agents; BVDV resistant mutants; Molecular modeling

Indexed keywords

ANTIVIRUS AGENT; PHENZIDOLE DERIVATIVE; RNA DIRECTED RNA POLYMERASE; UNCLASSIFIED DRUG;

ANIMAL CELL; ANTIVIRAL RESISTANCE; ARTICLE; BINDING AFFINITY; BOVINE DIARRHEA VIRUS; COMPUTER ANALYSIS; COMPUTER MODEL; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; DRUG STRUCTURE; IN VITRO STUDY; MATHEMATICAL ANALYSIS; MOLECULAR DOCKING; MOLECULAR MECHANICS; MOLECULAR MODEL; NONHUMAN; PHARMACOPHORE; PROTEIN INTERACTION; REVERSE TRANSCRIPTION POLYMERASE CHAIN REACTION; THREE DIMENSIONAL IMAGING; VIRUS INHIBITION; VIRUS ISOLATION; VIRUS MUTANT;

ANTIVIRAL AGENTS; BENZIMIDAZOLES; COMPUTER SIMULATION; DIARRHEA VIRUSES, BOVINE VIRAL; DRUG RESISTANCE, VIRAL; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MUTATION; RNA REPLICASE; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP;

BOVINE VIRAL DIARRHEA VIRUS 1;

EID: 77949273812     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2010.01.058     Document Type: Article

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