Molecular screening of phytochemicals from Amelanchier Alnifolia against HCV NS3 protease/helicase using computational docking techniques

Mahim Khan; Muhammad Shareef Masoud; Muhammad Qasim; Muhammad Asaf Khan; Muhammad Zubair; Sobia Idrees; Asma Ashraf; Usman Ali Ashfaq

doi:10.6026/97320630009978

Molecular screening of phytochemicals from Amelanchier Alnifolia against HCV NS3 protease/helicase using computational docking techniques

Bioinformation. 2013 Dec 6;9(19):978-82. doi: 10.6026/97320630009978. eCollection 2013.

Authors

Mahim Khan¹, Muhammad Shareef Masoud¹, Muhammad Qasim¹, Muhammad Asaf Khan¹, Muhammad Zubair¹, Sobia Idrees¹, Asma Ashraf¹, Usman Ali Ashfaq¹

Affiliation

¹ Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.

Abstract

Hepatitis C is serious health concern worldwide caused by HCV. It causes liver cirrhosis and hepato-cellular carcinoma. Development of prevention solutions is under progress. Meanwhile, the treatment of the viral disease using compounds isolated from natural medicinal plants is promising. The traditional use of photo-chemicals from medicinal plants like Amelanchier alnifolia for viral treatment is hopeful. Therefore, it is of interest to screen for flavonoids from Amelanchier alnifolia against protein targets of HCV. Hence, we assessed the binding of flavonoids to HCV NS3/4A protease and helicase proteins. Results show that Quercitin 3- galactoside and 3-glucosideshowed good binding score with protease and helicase respectively. Their interaction/binding sites are documented in this report. This data provide insights for the consideration of flavonoids as potential inhibitors of HCV/NS3/4A protease and helicase.