Molecular docking and dynamics simulation analysis of nucleoprotein from the Crimea-Congo hemorrhagic fever virus strain Baghdad-12 with FDA approved drugs.
| Autor: | Hashim AF; Department of pharmacy, Al-Zahrawi University College, Karbala, Iraq., Odhar HA; Department of pharmacy, Al-Zahrawi University College, Karbala, Iraq., Ahjel SW; Department of pharmacy, Al-Zahrawi University College, Karbala, Iraq. |
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| Jazyk: | angličtina |
| Zdroj: | Bioinformation [Bioinformation] 2022 May 31; Vol. 18 (5), pp. 442-449. Date of Electronic Publication: 2022 May 31 (Print Publication: 2022). |
| DOI: | 10.6026/97320630018442 |
| Abstrakt: | Crimea-Congo hemorrhagic fever virus is considered a potential public health threat due to the high case fatality ratio of the disease hemorrhagic phase and absence of approved vaccines or antiviral agents. Therefore, it is of interest to screen FDA approved drugs against the nucleoprotein crystal of Crimea-Congo hemorrhagic fever virus strain Baghdad-12 by using molecular docking and dynamics simulation. Hence, we report that the beta receptor blocker Nebivolol and the antihistamine Loratadine may bind to RNA binding region on nucleoprotein for further consideration in drug design and development. (© 2022 Biomedical Informatics.) |
| Databáze: | MEDLINE |
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