Repurposing of eluxadoline as a SARS-CoV-2 main protease inhibitor: E-Pharmacophore based virtual screening, molecular docking, MM-GBSA calculations, and molecular dynamics simulations studies.
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| Title: | Repurposing of eluxadoline as a SARS-CoV-2 main protease inhibitor: E-Pharmacophore based virtual screening, molecular docking, MM-GBSA calculations, and molecular dynamics simulations studies. |
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| Authors: | Mohamed, Magdi A.1 maelhussein@ju.edu.sa, Alanazi, Alaa F.2, Alanazi, Waad A.2, Elsaman, Tilal1, Mohamed, Malik S.3, Eltayib, Eyman M.3 |
| Source: | Journal of Applied Pharmaceutical Science. Jan2025, Vol. 15 Issue 1, p102-110. 9p. |
| Database: | Academic Search Ultimate |
| FullText | Links: – Type: pdflink Text: Availability: 0 |
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| Header | DbId: asn DbLabel: Academic Search Ultimate An: 182996729 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Repurposing of eluxadoline as a SARS-CoV-2 main protease inhibitor: E-Pharmacophore based virtual screening, molecular docking, MM-GBSA calculations, and molecular dynamics simulations studies. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Mohamed%2C+Magdi+A%2E%22">Mohamed, Magdi A.</searchLink><relatesTo>1</relatesTo><i> maelhussein@ju.edu.sa</i><br /><searchLink fieldCode="AR" term="%22Alanazi%2C+Alaa+F%2E%22">Alanazi, Alaa F.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Alanazi%2C+Waad+A%2E%22">Alanazi, Waad A.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Elsaman%2C+Tilal%22">Elsaman, Tilal</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Mohamed%2C+Malik+S%2E%22">Mohamed, Malik S.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Eltayib%2C+Eyman+M%2E%22">Eltayib, Eyman M.</searchLink><relatesTo>3</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Applied+Pharmaceutical+Science%22">Journal of Applied Pharmaceutical Science</searchLink>. Jan2025, Vol. 15 Issue 1, p102-110. 9p. |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=182996729 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.7324/JAPS.2024.204792 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 9 StartPage: 102 Titles: – TitleFull: Repurposing of eluxadoline as a SARS-CoV-2 main protease inhibitor: E-Pharmacophore based virtual screening, molecular docking, MM-GBSA calculations, and molecular dynamics simulations studies. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Mohamed, Magdi A. – PersonEntity: Name: NameFull: Alanazi, Alaa F. – PersonEntity: Name: NameFull: Alanazi, Waad A. – PersonEntity: Name: NameFull: Elsaman, Tilal – PersonEntity: Name: NameFull: Mohamed, Malik S. – PersonEntity: Name: NameFull: Eltayib, Eyman M. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 01 Text: Jan2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 22313354 Numbering: – Type: volume Value: 15 – Type: issue Value: 1 Titles: – TitleFull: Journal of Applied Pharmaceutical Science Type: main |
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