Title
Molecular docking and dynamics simulation analysis of nucleoprotein from the Crimea-Congo hemorrhagic fever virus strain Baghdad-12 with FDA approved drugs
Authors
Ahmed Fadhil Hashim, Hasanain Abdulhameed Odhar*& Salam Waheed Ahjel
Affiliation
Department of pharmacy, Al-Zahrawi University College, Karbala, Iraq; *Corresponding author
Hasanain Abdulhameed Odhar - E-mail: hodhar3@gmail.com & hassaninathar@g.alzahu.edu.iq - Phone: 009647725300923
Ahmed Fadhil Hashim - E-mail:ahmedfadhil@g.alzahu.edu.iq
Salam Waheed Ahjel - E-mail:salam.waheed@g.alzahu.edu.iq
Article Type
Research Article
Date
Received April 27, 2022; Revised May 31, 2022; Accepted May 31, 2022, Published May 31, 2022
Abstract
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.
Keywords
Crimea-Congo hemorrhagic fever virus strain Baghdad-12, nucleoprotein, repurpose, docking, dynamics simulation
Citation
Hashim et al. Bioinformation 18(5): 442-449 (2022)
Edited by
P Kangueane
ISSN
0973-2063
Publisher
License
This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
