Tehran University of Medical Sciences

Science Communicator Platform

Stay connected! Follow us on X network (Twitter):
Share By
Tetracyclines As a Potential Antiviral Therapy Against Crimean Congo Hemorrhagic Fever Virus: Docking and Molecular Dynamic Studies Publisher Pubmed



Sharifi A1 ; Amanlou A2 ; Moosavimovahedi F1 ; Golestanian S1 ; Amanlou M1
Authors

Source: Computational Biology and Chemistry Published:2017


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. © 2017 Elsevier Ltd
Related Docs
View other Related Docs
1. Structure-Based Virtual Screening for Defeating Drug Resistant Form of Egfr Protein, Combinatorial Chemistry and High Throughput Screening (2016)
2. Anti-Hcv and Anti-Malaria Agent, Potential Candidates to Repurpose for Coronavirus Infection: Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation Study, Life Sciences (2020)
3. New Aspects About Crimean-Congo Hemorrhagic Fever (Cchf) Cases and Associated Fatality Trends: A Global Systematic Review and Meta-Analysis, Comparative Immunology# Microbiology and Infectious Diseases (2020)
Experts (# of related papers)
View all Related Experts
Massoud Amanlou (10)
Alireza Foroumadi (1)
Other Related Docs
4. Prediction of Dual Agents As an Activator of Mutant P53 and Inhibitor of Hsp90 by Docking, Molecular Dynamic Simulation and Virtual Screening, Journal of Molecular Graphics and Modelling (2015)
5. Erp57 Protein Activators for Management of Fertility by Virtual Screening and Molecular Dynamic Studies, Biointerface Research in Applied Chemistry (2023)
6. Repurposing of the Approved Small Molecule Drugs in Order to Inhibit Sars-Cov-2 S Protein and Human Ace2 Interaction Through Virtual Screening Approaches, Journal of Biomolecular Structure and Dynamics (2022)
7. Molecular Perception of Interactions Between Bis(7)Tacrine and Cystamine-Tacrine Dimer With Cholinesterases As the Promising Proposed Agents for the Treatment of Alzheimers Disease, Journal of Biomolecular Structure and Dynamics (2016)
8. Potent Human Telomerase Inhibitors: Molecular Dynamic Simulations, Multiple Pharmacophore-Based Virtual Screening, and Biochemical Assays, Journal of Chemical Information and Modeling (2015)
9. Discovery of Potential Anti-Ischemic Stroke Agents Through Inhibiting Sulfonylurea Receptor 1 (Sur1): A Pharmacophore-Based Screening, Docking, and Molecular Dynamic Simulation, Biointerface Research in Applied Chemistry (2022)
10. Virtual Screening Based on the Structure of More Than 105 Compounds Against Four Key Proteins of Sars-Cov-2: Mpro, Srbd, Rdrp, and Plpro, Informatics in Medicine Unlocked (2022)
11. Arylhydrazone Derivatives of Naproxen As New Analgesic and Anti-Inflammatory Agents: Design, Synthesis and Molecular Docking Studies, Journal of Molecular Graphics and Modelling (2016)
12. Molecular Epidemiology of Crimean-Congo Hemorrhagic Fever Virus in Ticks Collected From Western Iran, Asian Biomedicine (2016)
13. Structure Based Screening for Inhibitory Therapeutics of Ctla-4 Unveiled New Insights About Biology of Acth, International Journal of Peptide Research and Therapeutics (2020)
14. Discovery of Novel Dual Inhibitors Against Mdm2 and Mdmx Proteins by in Silico Approaches and Binding Assay, Life Sciences (2016)
15. Combined Virtual Screening, Dft Calculations and Molecular Dynamics Simulations to Discovery of Potent Mmp-9 Inhibitors, Letters in Drug Design and Discovery (2019)
16. A Comparative Study Based on Docking and Molecular Dynamics Simulations Over Hdac-Tubulin Dual Inhibitors, Journal of Molecular Graphics and Modelling (2016)
17. Identification of New Dna Gyrase Inhibitors Based on Bioactive Compounds From Streptomyces: Structure-Based Virtual Screening and Molecular Dynamics Simulations Approaches, Journal of Biomolecular Structure and Dynamics (2020)
18. Crimean-Congo Hemorrhagic Fever Virus Vaccine: Past, Present, and Future, Reviews and Research in Medical Microbiology (2022)
19. Computational Structure-Based Design of Antiviral Peptides As Potential Protein–Protein Interaction Inhibitors of Rabies Virus Phosphoprotein and Human Lc8, Heliyon (2025)
20. Computation Screening and Molecular Docking of Fda Approved Viral Protease Inhibitors As a Potential Drug Against Covid-19, Gastroenterology and Hepatology from Bed to Bench (2020)