Design and Identification of Lead Compounds Targeting Nipah G Attachment Glycoprotein by In Silico Approaches

Nipah virus (NiV) caused several outbreaks in Asian countries, including the latest one from Kerala state of India. There is no drug available against NiV till now, despite its urgent requirement. are reports about anti-influenza viral Favipiravir, which has positively affected vitro models. In current work, we have provided a computational screening for inhibitors. Twenty-two designed compounds favipiravir and glycoprotein, 3D11, were chosen performed molecular docking to analyse various conformations interactions with amino acids; further, their physicochemical ADMET properties also computed. The compound 5_Favipiravir an excellent score (-6.16 kcal/mol), followed by 4_Favipiravir 19_Favipiravir -5.50 -5.38 kcal/mol respectively. three had respective heterocyclic moieties such as pyrazole, imidazole pyrazinone. All twenty-two obey Lipinski rule five, infer that they will not problems oral bioavailability. Thus, it concluded incorporated groups can add anti-Nipah activity; hence act future leads treatment disease virus.