Tetracyclines as a potential antiviral therapy against Crimean Congo hemorrhagic fever virus: Docking and molecular dynamic studies. (October 2017)

• Record Type: Journal Article
• Authors: Sharifi, Amirhossein; Amanlou, Arash; Moosavi-Movahedi, Faezeh; Golestanian, Sahand; Amanlou, Massoud
• Is Part Of: Computational biology and chemistry. Volume 70(2017)
• Page Start: 1
• Page End: 6
• Publication Date: 2017-10
• Subjects: Crimean Congo virus -- Docking -- Molecular dynamic -- Doxycycline -- Minocycline -- FDA-approved drugs; Chemistry -- Data processing -- Periodicals; Biology -- Data processing -- Periodicals; Biochemistry -- Data processing; Biology -- Data processing; Molecular biology -- Data processing; Periodicals; Electronic journals; 542.85
• DOI: 10.1016/j.compbiolchem.2017.06.003
• Languages: English
• ISSNs: 1476-9271

Abstract

Graphical abstract: Highlights: Potential binding pocket of Crimean Congo Virus Nucleoprotein is proposed. A rational process is employed to find potential inhibitors of the nucleoprotein. Doxycycline and minocycline are suggested as inhibitors of the nucleoprotein. Abstract: Crimean-Congo Hemorrhagic Fever Virus (CCHFV) is one of the deadliest human diseases with mortality rate near 50%. Special attention should be paid to this virus since there is no approved treatment for it. On the other hand, the recent outbreak of Ebola virus which is a member of hemorrhagic fever viruses shows this group of viruses can be extremely dangerous. Previous studies have indicated that nucleoprotein of CCHFV, a pivotal protein in virus replication, is an appropriate target for antiviral drug development. The aim of this study is finding inhibitor(s) of this protein. Herein, a virtual screening procedure employing docking followed by molecular dynamic was used to identify small molecule inhibitors of the nucleoprotein from FDA-approved drugs. Regarding CCHFV, using in-silico method is a safe way to achieve its inhibitor(s) since this virus is categorized as a World Health Organization (WHO) biosafety level 4 pathogen and therefore investigation in general laboratories is restricted. In conclusion, considering docking and molecular dynamic results alongside with bioavailability of FDA-approved drugs, doxycycline and minocycline are proposed as potential inhibitors of CCHFV nucleoprotein. There is hope, this study encourage other research groups for in-vitro and in-vivo studies about the efficacy of those two medicines in CCHFV treatment.