Exploration of African natural products as VP35 inhibitors to combat Marburg virus infection: Molecular docking, molecular dynamics, and quantum mechanical computations.
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| Title: | Exploration of African natural products as VP35 inhibitors to combat Marburg virus infection: Molecular docking, molecular dynamics, and quantum mechanical computations. |
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| Authors: | Abdelrahman AHM; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt., Mekhemer GAH; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt., Sidhom PA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, Egypt., El-Tayeb MA; Department of Botany and Microbiology, College of Science, King Saud University, Riyadh, Saudi Arabia., Khan S; Centre for Pharmaceutical Engineering Science, Faculty of Life Science, School of Pharmacy and Medical Sciences, University of Bradford, Bradford, United Kingdom., Ibrahim MAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt.; Department of Engineering, College of Engineering and Technology, University of Technology and Applied Sciences, Nizwa, Sultanate of Oman.; School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, South Africa. |
| Source: | PloS one [PLoS One] 2025 Oct 24; Vol. 20 (10), pp. e0334160. Date of Electronic Publication: 2025 Oct 24 (Print Publication: 2025). |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 1932-6203 |
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| DOI: | 10.1371/journal.pone.0334160 |
