Molecular dynamics-guided design of sulfadiazine-based α-aminophosphonates as DNA gyrase inhibitors with enhanced binding stability and antibacterial activity.
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| Title: | Molecular dynamics-guided design of sulfadiazine-based α-aminophosphonates as DNA gyrase inhibitors with enhanced binding stability and antibacterial activity. |
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| Authors: | Abouelenein MG; Chemistry Department, Faculty of Science, Menoufia University, Shebin El-Koam, Egypt., Aboelnaga A; Chemistry Department, Faculty of Women of Arts, Science and Education, Ain Shams University, Heliopolis, Egypt., Shaban E; Dyeing, Printing and Textile Auxiliaries Department, Textile Research and Technology Institute, National Research Centre, Giza, Egypt., El-Rashedy AA; Natural and Microbial Products Department, National Research Center (NRC), Cairo, Egypt., Abubakr A; Department of Pharmaceutics and Pharmaceutical Technology, Faculty of Pharmacy, Egyptian Russian University, Cairo, Egypt., Abdelraof M; Microbial Chemistry Department, National Research Centre, Cairo, Egypt., Abd El Salam HA; Green Chemistry Department, National Research Centre, Giza, Egypt., Abdelmonem FI; Chemistry Department, Faculty of Women of Arts, Science and Education, Ain Shams University, Heliopolis, Egypt. |
| Source: | Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2026 Jun 02, pp. 1-31. Date of Electronic Publication: 2026 Jun 02. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Links: – Type: pdflink Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 42231141 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Molecular dynamics-guided design of sulfadiazine-based α-aminophosphonates as DNA gyrase inhibitors with enhanced binding stability and antibacterial activity. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Abouelenein+MG%22">Abouelenein MG</searchLink>; Chemistry Department, Faculty of Science, Menoufia University, Shebin El-Koam, Egypt.<br /><searchLink fieldCode="AU" term="%22Aboelnaga+A%22">Aboelnaga A</searchLink>; Chemistry Department, Faculty of Women of Arts, Science and Education, Ain Shams University, Heliopolis, Egypt.<br /><searchLink fieldCode="AU" term="%22Shaban+E%22">Shaban E</searchLink>; Dyeing, Printing and Textile Auxiliaries Department, Textile Research and Technology Institute, National Research Centre, Giza, Egypt.<br /><searchLink fieldCode="AU" term="%22El-Rashedy+AA%22">El-Rashedy AA</searchLink>; Natural and Microbial Products Department, National Research Center (NRC), Cairo, Egypt.<br /><searchLink fieldCode="AU" term="%22Abubakr+A%22">Abubakr A</searchLink>; Department of Pharmaceutics and Pharmaceutical Technology, Faculty of Pharmacy, Egyptian Russian University, Cairo, Egypt.<br /><searchLink fieldCode="AU" term="%22Abdelraof+M%22">Abdelraof M</searchLink>; Microbial Chemistry Department, National Research Centre, Cairo, Egypt.<br /><searchLink fieldCode="AU" term="%22Abd+El+Salam+HA%22">Abd El Salam HA</searchLink>; Green Chemistry Department, National Research Centre, Giza, Egypt.<br /><searchLink fieldCode="AU" term="%22Abdelmonem+FI%22">Abdelmonem FI</searchLink>; Chemistry Department, Faculty of Women of Arts, Science and Education, Ain Shams University, Heliopolis, Egypt. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%228404176%22">Journal of biomolecular structure & dynamics</searchLink> [J Biomol Struct Dyn] 2026 Jun 02, pp. 1-31. <i>Date of Electronic Publication: </i>2026 Jun 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="%22Taylor+%26+Francis%22">Taylor & Francis </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>8404176 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1538-0254 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2207391102%22">07391102 </searchLink><i>NLM ISO Abbreviation: </i>J Biomol Struct Dyn <i>Subsets: </i>MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=42231141 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1080/07391102.2026.2676326 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 1 Titles: – TitleFull: Molecular dynamics-guided design of sulfadiazine-based α-aminophosphonates as DNA gyrase inhibitors with enhanced binding stability and antibacterial activity. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Abouelenein MG – PersonEntity: Name: NameFull: Aboelnaga A – PersonEntity: Name: NameFull: Shaban E – PersonEntity: Name: NameFull: El-Rashedy AA – PersonEntity: Name: NameFull: Abubakr A – PersonEntity: Name: NameFull: Abdelraof M – PersonEntity: Name: NameFull: Abd El Salam HA – PersonEntity: Name: NameFull: Abdelmonem FI IsPartOfRelationships: – BibEntity: Dates: – D: 02 M: 06 Text: 2026 Jun 02 Type: published Y: 2026 Identifiers: – Type: issn-electronic Value: 1538-0254 Titles: – TitleFull: Journal of biomolecular structure & dynamics Type: main |
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