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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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 41134767 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Exploration of African natural products as VP35 inhibitors to combat Marburg virus infection: Molecular docking, molecular dynamics, and quantum mechanical computations. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Abdelrahman+AHM%22">Abdelrahman AHM</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt.<br /><searchLink fieldCode="AU" term="%22Mekhemer+GAH%22">Mekhemer GAH</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt.<br /><searchLink fieldCode="AU" term="%22Sidhom+PA%22">Sidhom PA</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, Egypt.<br /><searchLink fieldCode="AU" term="%22El-Tayeb+MA%22">El-Tayeb MA</searchLink>; Department of Botany and Microbiology, College of Science, King Saud University, Riyadh, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Khan+S%22">Khan S</searchLink>; Centre for Pharmaceutical Engineering Science, Faculty of Life Science, School of Pharmacy and Medical Sciences, University of Bradford, Bradford, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Ibrahim+MAA%22">Ibrahim MAA</searchLink>; 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. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22101285081%22">PloS one</searchLink> [PLoS One] 2025 Oct 24; Vol. 20 (10), pp. e0334160. <i>Date of Electronic Publication: </i>2025 Oct 24 (<i>Print Publication: </i>2025). – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Public+Library+of+Science%22">Public Library of Science </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101285081 <i>Publication Model: </i>eCollection <i>Cited Medium: </i>Internet <i>ISSN: </i>1932-6203 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2219326203%22">19326203 </searchLink><i>NLM ISO Abbreviation: </i>PLoS One <i>Subsets: </i>MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=41134767 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1371/journal.pone.0334160 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: e0334160 Titles: – TitleFull: Exploration of African natural products as VP35 inhibitors to combat Marburg virus infection: Molecular docking, molecular dynamics, and quantum mechanical computations. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Abdelrahman AHM – PersonEntity: Name: NameFull: Mekhemer GAH – PersonEntity: Name: NameFull: Sidhom PA – PersonEntity: Name: NameFull: El-Tayeb MA – PersonEntity: Name: NameFull: Khan S – PersonEntity: Name: NameFull: Ibrahim MAA IsPartOfRelationships: – BibEntity: Dates: – D: 24 M: 10 Text: 2025 Oct 24 Type: published Y: 2025 Identifiers: – Type: issn-electronic Value: 1932-6203 Numbering: – Type: volume Value: 20 – Type: issue Value: 10 Titles: – TitleFull: PloS one Type: main |
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