Finding potential inhibitors from phytochemicals against nucleoprotein of crimean congo fever virus using in silico approach
Abstract The Crimean Congo virus has been reported to be a part of the spherical RNA-enveloped viruses from the Bunyaviridae family. Crimean Congo fever (CCHF) is a fatal disease with having fatality rate of up to 40%. It is declared endemic by the World Health Organization. Many outbreaks of CCHF h...
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Nature Portfolio
2024-12-01
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| author | Muhammad Ramzan Sajid Mahmood Adnan Amjad Mohsin Javed Ammar Zidan Ali Bahadur Shahid Iqbal Muhammad Saad Namrah Zaka Shazia Khurshid Nasser S. Awwad Hala A. Ibrahium Toheed Akhter |
| author_facet | Muhammad Ramzan Sajid Mahmood Adnan Amjad Mohsin Javed Ammar Zidan Ali Bahadur Shahid Iqbal Muhammad Saad Namrah Zaka Shazia Khurshid Nasser S. Awwad Hala A. Ibrahium Toheed Akhter |
| author_sort | Muhammad Ramzan |
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| description | Abstract The Crimean Congo virus has been reported to be a part of the spherical RNA-enveloped viruses from the Bunyaviridae family. Crimean Congo fever (CCHF) is a fatal disease with having fatality rate of up to 40%. It is declared endemic by the World Health Organization. Many outbreaks of CCHF have been reported over the years. Former studies on CCHF have reported that the nucleoprotein of CCHF, being a pivotal protein in the replication process of the virus, is a potential target for antiviral drugs. However, there is no specific drug that can be used to treat this fatal disease and laboratory testing is prohibited due to its pathogen level 4. This study aims to find a possible potential inhibitor of the nucleoprotein of CCHFV using modern techniques leading ultimately to the development of effective and natural drugs. In this study, a virtual screening procedure involving a docking process followed by the Molecular Dynamics method is used to find out the potential inhibitors of the nucleoprotein of CCHFV. Phytochemicals having pharmacological properties and approved by the Food and Drug Administration are docked over the nucleoprotein of CCHFV. The study signifies the use of Withanolide E as a drug for the treatment of CCHFV as the study depicts the potential of Withanolide E to inhibit the nucleoprotein of CCHFV using reliable and modern techniques. |
| format | Article |
| id | doaj-art-226b933e3ab446769c572c1fbf237508 |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Nature Portfolio |
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| series | Scientific Reports |
| spelling | doaj-art-226b933e3ab446769c572c1fbf2375082025-01-05T12:26:02ZengNature PortfolioScientific Reports2045-23222024-12-0114111310.1038/s41598-024-82312-yFinding potential inhibitors from phytochemicals against nucleoprotein of crimean congo fever virus using in silico approachMuhammad Ramzan0Sajid Mahmood1Adnan Amjad2Mohsin Javed3Ammar Zidan4Ali Bahadur5Shahid Iqbal6Muhammad Saad7Namrah Zaka8Shazia Khurshid9Nasser S. Awwad10Hala A. Ibrahium11Toheed Akhter12Department of Chemistry, School of Science, University of Management and TechnologyNottingham Ningbo China Beacons of Excellence Research and Innovation Institute, University of Nottingham Ningbo ChinaDepartment of Chemistry, School of Science, University of Management and TechnologyDepartment of Chemistry, School of Science, University of Management and TechnologyBiomedical Engineering Department, College of Engineering and Technologies, Al-Mustaqbal UniversityDepartment of Chemistry, College of Science, Mathematics, and Technology, Wenzhou-Kean UniversityNottingham Ningbo China Beacons of Excellence Research and Innovation Institute, University of Nottingham Ningbo ChinaCentre for Organic and Nanohybrid Electronics, Silesian University of TechnologyDepartment of Chemistry, School of Science, University of Management and TechnologyDepartment of Chemistry, Government College University LahoreChemistry Department, Faculty of Science, King Khalid UniversityBiology Department, Faculty of Science, King Khalid UniversityDepartment of Chemical and Biological Engineering, Gachon UniversityAbstract The Crimean Congo virus has been reported to be a part of the spherical RNA-enveloped viruses from the Bunyaviridae family. Crimean Congo fever (CCHF) is a fatal disease with having fatality rate of up to 40%. It is declared endemic by the World Health Organization. Many outbreaks of CCHF have been reported over the years. Former studies on CCHF have reported that the nucleoprotein of CCHF, being a pivotal protein in the replication process of the virus, is a potential target for antiviral drugs. However, there is no specific drug that can be used to treat this fatal disease and laboratory testing is prohibited due to its pathogen level 4. This study aims to find a possible potential inhibitor of the nucleoprotein of CCHFV using modern techniques leading ultimately to the development of effective and natural drugs. In this study, a virtual screening procedure involving a docking process followed by the Molecular Dynamics method is used to find out the potential inhibitors of the nucleoprotein of CCHFV. Phytochemicals having pharmacological properties and approved by the Food and Drug Administration are docked over the nucleoprotein of CCHFV. The study signifies the use of Withanolide E as a drug for the treatment of CCHFV as the study depicts the potential of Withanolide E to inhibit the nucleoprotein of CCHFV using reliable and modern techniques.https://doi.org/10.1038/s41598-024-82312-yCrimean CongoBunyaviralNucleoprotein of CCHFVirtual screening procedureDocking |
| spellingShingle | Muhammad Ramzan Sajid Mahmood Adnan Amjad Mohsin Javed Ammar Zidan Ali Bahadur Shahid Iqbal Muhammad Saad Namrah Zaka Shazia Khurshid Nasser S. Awwad Hala A. Ibrahium Toheed Akhter Finding potential inhibitors from phytochemicals against nucleoprotein of crimean congo fever virus using in silico approach Scientific Reports Crimean Congo Bunyaviral Nucleoprotein of CCHF Virtual screening procedure Docking |
| title | Finding potential inhibitors from phytochemicals against nucleoprotein of crimean congo fever virus using in silico approach |
| title_full | Finding potential inhibitors from phytochemicals against nucleoprotein of crimean congo fever virus using in silico approach |
| title_fullStr | Finding potential inhibitors from phytochemicals against nucleoprotein of crimean congo fever virus using in silico approach |
| title_full_unstemmed | Finding potential inhibitors from phytochemicals against nucleoprotein of crimean congo fever virus using in silico approach |
| title_short | Finding potential inhibitors from phytochemicals against nucleoprotein of crimean congo fever virus using in silico approach |
| title_sort | finding potential inhibitors from phytochemicals against nucleoprotein of crimean congo fever virus using in silico approach |
| topic | Crimean Congo Bunyaviral Nucleoprotein of CCHF Virtual screening procedure Docking |
| url | https://doi.org/10.1038/s41598-024-82312-y |
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