title: Molecular screening of phytochemicals from Amelanchier Alnifolia against HCV NS3 protease/helicase using computational docking techniques.
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.
authors.affiliation: Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
authors.forename: Mahim
authors.initials: M
authors.lastname: Khan
authors.affiliation: Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
authors.forename: Muhammad Shareef
authors.initials: MS
authors.lastname: Masoud
authors.affiliation: Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
authors.forename: Muhammad
authors.initials: M
authors.lastname: Qasim
authors.affiliation: Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
authors.forename: Muhammad Asaf
authors.initials: MA
authors.lastname: Khan
authors.affiliation: Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
authors.forename: Muhammad
authors.initials: M
authors.lastname: Zubair
authors.affiliation: Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
authors.forename: Sobia
authors.initials: S
authors.lastname: Idrees
authors.affiliation: Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
authors.forename: Asma
authors.initials: A
authors.lastname: Ashraf
authors.affiliation: Department of Bioinformatics and Biotechnology, Government College University (GCU), Faisalabad, Pakistan.
authors.forename: Usman Ali
authors.initials: UA
authors.lastname: Ashfaq