Jornal de Bioinformática Aplicada e Biologia Computacional

Virtual Screening and Pharmacophore Analysis of Potent Antiviral Inhibitors for Viral Proteins from Ebola virus

Sitansu Kumar Verma, Soni Yadav and Ankit Singh

Virtual Screening and Pharmacophore Analysis of Potent Antiviral Inhibitors for Viral Proteins from Ebola virus

Ebola hemorrhagic fever (Ebola HF) is a severe, often-fatal and one of the most virulent disease in primates. In our studies we had aimed to developed novel and potent inhibitor by targeting the VP40 and VP35 protein of the Ebola virus. These proteins are very helpful in virus replication so these are the main drug targets to prevent viral infection Protein sequence of VP40 and VP35 protein from Ebola virus ware retrieved from NCBI with Accession number NP_066245 and NP_066244 respectively and it 3D model ware predicated by using comparative homology modeling program MODELLER 9.10. The templates of VP40 and VP35 for homology modeling were downloaded from protein databank. Models evolution and validation was done by using PROCHECK with Ramachandran plot analysis. In addition we investigated that the antiviral compound bound at the cavity of model. In these studies we investigated interaction behavioral studies of antiviral compound with the modeled proteins after the analysis we select four potent antiviral compound (Famciclovir, Entecvir, Ganciclovir, Oseltamivir) for VP40 and two compound (Navirapine, Valganciclovir) for the VP35.