Drug Repurposing Investigation for Combating Ebola Virus Disease: Database Mining, Docking Calculations, Molecular Dynamics, and Density Functional Theory Study.
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| Title: | Drug Repurposing Investigation for Combating Ebola Virus Disease: Database Mining, Docking Calculations, Molecular Dynamics, and Density Functional Theory Study. |
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| Authors: | Abdelrahman AHM; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt., Mekhemer GAH; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt., Sidhom PA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, 31527, Egypt., El-Tayeb MA; Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia., Khan S; Centre for Pharmaceutical Engineering Science, Faculty of Life Science, School of Pharmacy and Medical Sciences, University of Bradford, Bradford, BD7 1DP, UK., Ibrahim MAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.; Department of Engineering, College of Engineering and Technology, University of Technology and Applied Sciences, Nizwa, 611, Sultanate of Oman.; School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4000, South Africa. |
| Source: | ChemistryOpen [ChemistryOpen] 2025 Dec; Vol. 14 (12), pp. e202500348. Date of Electronic Publication: 2025 Sep 02. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 101594811 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2191-1363 (Electronic) Linking ISSN: 21911363 NLM ISO Abbreviation: ChemistryOpen Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 40891583 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Drug Repurposing Investigation for Combating Ebola Virus Disease: Database Mining, Docking Calculations, Molecular Dynamics, and Density Functional Theory Study. – 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, 61519, Egypt.<br /><searchLink fieldCode="AU" term="%22Mekhemer+GAH%22">Mekhemer GAH</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.<br /><searchLink fieldCode="AU" term="%22Sidhom+PA%22">Sidhom PA</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, 31527, 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, P.O. Box 2455, Riyadh, 11451, 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, BD7 1DP, UK.<br /><searchLink fieldCode="AU" term="%22Ibrahim+MAA%22">Ibrahim MAA</searchLink>; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.; Department of Engineering, College of Engineering and Technology, University of Technology and Applied Sciences, Nizwa, 611, Sultanate of Oman.; School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4000, South Africa. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22101594811%22">ChemistryOpen</searchLink> [ChemistryOpen] 2025 Dec; Vol. 14 (12), pp. e202500348. <i>Date of Electronic Publication: </i>2025 Sep 02. – 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="%22Wiley-VCH+Verlag%22">Wiley-VCH Verlag </searchLink><i>Country of Publication: </i>Germany <i>NLM ID: </i>101594811 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>2191-1363 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2221911363%22">21911363 </searchLink><i>NLM ISO Abbreviation: </i>ChemistryOpen <i>Subsets: </i>MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=40891583 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1002/open.202500348 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: e202500348 Titles: – TitleFull: Drug Repurposing Investigation for Combating Ebola Virus Disease: Database Mining, Docking Calculations, Molecular Dynamics, and Density Functional Theory Study. 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: 01 M: 12 Text: 2025 Dec Type: published Y: 2025 Identifiers: – Type: issn-electronic Value: 2191-1363 Numbering: – Type: volume Value: 14 – Type: issue Value: 12 Titles: – TitleFull: ChemistryOpen Type: main |
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