Cheminformatics study of some indole compounds through QSAR modeling, ADME prediction, molecular docking, and molecular dynamic simulation to identify novel inhibitors of HCV NS5B protease
Stephen Ejeh, Adamu Uzairu, Gideon Adamu Shallangwa, Stephen Eyije Abechi, Muhammad Tukur Ibrahim, Ramith Ramu
Topics & Concepts
PubChemADMEChemistrySimeprevirIn silicoVirtual screeningQuantitative structure–activity relationshipDrug discoveryAutoDockSofosbuvirDocking (animal)Molecular dynamicsComputational biologyCheminformaticsHepatitis C virusMolecular descriptorStereochemistryComputational chemistryBiochemistryVirologyVirusRibavirinMedicineBiologyGeneGenotypeNursingIn vitroComputational Drug Discovery MethodsHepatitis C virus researchDiverse Scientific Research Studies