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Journal of Applied Bioinformatics & Computational BiologyISSN: 2329-9533

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Research Article, J Appl Bioinform Comput Biol Vol: 3 Issue: 2

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

Sitansu Kumar Verma*, Soni Yadav and Ankit Singh
Department of Biotechnology, Madhav Institute of Technology and Science,Gwalior, M.P., India
Corresponding author : Sitansu kumar verma
Department of Biotechnology, Madhav Institute of Technology and Science, Gwalior, MP, India- 474005
Tel: +91-9074197804
E-mail:[email protected]
Received: July 11, 2014 Accepted: October 15, 2014 Published: October 20, 2014
Citation: Verma SK, Yadav S, Singh J (2014) Virtual Screening and PharmacophoreAnalysis of Potent Antiviral Inhibitors for Viral Proteins from Ebola virus. J Appl Bioinform Comput Biol 3:2. doi:10.4172/2329-9533.1000111

Abstract

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.

Keywords: Ebola virus; Homology modeling; Modeller 9.10; Autodock 3.0.5; Pharmacophore

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