Exploring Oxazolidinone scaffolds for future antibiotics: synthesis and computational insights with DFT, docking, ADME and MD simulation.
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| Title: | Exploring Oxazolidinone scaffolds for future antibiotics: synthesis and computational insights with DFT, docking, ADME and MD simulation. |
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| Authors: | Soni S; Department of Applied Science and Humanities, School of Engineering and Sciences, MIT Art, Design and Technology University, Pune, Maharashtra, 412 201, India., Patil K; Department of Applied Science and Humanities, School of Engineering and Sciences, MIT Art, Design and Technology University, Pune, Maharashtra, 412 201, India., Gavale S; Department of Applied Science and Humanities, School of Engineering and Sciences, MIT Art, Design and Technology University, Pune, Maharashtra, 412 201, India., Pathan S; Research and Development Cell (RDC), Parul Institute of Applied Sciences (PIAS), Parul University, Vadodara, Gujarat, 391 760, India., Yadav R; Faculty of Pharmacy, The Maharaja Sayajirao University of Baroda, Vadodara, Gujarat, India., Murumkar PR; Faculty of Pharmacy, The Maharaja Sayajirao University of Baroda, Vadodara, Gujarat, India., Kadu R; Department of Applied Science and Humanities, School of Engineering and Sciences, MIT Art, Design and Technology University, Pune, Maharashtra, 412 201, India. rahul_kadu25@yahoo.co.in. |
| Source: | Journal of computer-aided molecular design [J Comput Aided Mol Des] 2025 Aug 06; Vol. 39 (1), pp. 58. Date of Electronic Publication: 2025 Aug 06. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| Journal Info: | Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 40768112 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Exploring Oxazolidinone scaffolds for future antibiotics: synthesis and computational insights with DFT, docking, ADME and MD simulation. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Soni+S%22">Soni S</searchLink>; Department of Applied Science and Humanities, School of Engineering and Sciences, MIT Art, Design and Technology University, Pune, Maharashtra, 412 201, India.<br /><searchLink fieldCode="AU" term="%22Patil+K%22">Patil K</searchLink>; Department of Applied Science and Humanities, School of Engineering and Sciences, MIT Art, Design and Technology University, Pune, Maharashtra, 412 201, India.<br /><searchLink fieldCode="AU" term="%22Gavale+S%22">Gavale S</searchLink>; Department of Applied Science and Humanities, School of Engineering and Sciences, MIT Art, Design and Technology University, Pune, Maharashtra, 412 201, India.<br /><searchLink fieldCode="AU" term="%22Pathan+S%22">Pathan S</searchLink>; Research and Development Cell (RDC), Parul Institute of Applied Sciences (PIAS), Parul University, Vadodara, Gujarat, 391 760, India.<br /><searchLink fieldCode="AU" term="%22Yadav+R%22">Yadav R</searchLink>; Faculty of Pharmacy, The Maharaja Sayajirao University of Baroda, Vadodara, Gujarat, India.<br /><searchLink fieldCode="AU" term="%22Murumkar+PR%22">Murumkar PR</searchLink>; Faculty of Pharmacy, The Maharaja Sayajirao University of Baroda, Vadodara, Gujarat, India.<br /><searchLink fieldCode="AU" term="%22Kadu+R%22">Kadu R</searchLink>; Department of Applied Science and Humanities, School of Engineering and Sciences, MIT Art, Design and Technology University, Pune, Maharashtra, 412 201, India. rahul&#95;kadu25@yahoo.co.in. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%228710425%22">Journal of computer-aided molecular design</searchLink> [J Comput Aided Mol Des] 2025 Aug 06; Vol. 39 (1), pp. 58. <i>Date of Electronic Publication: </i>2025 Aug 06. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article; Research Support, Non-U.S. Gov't – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Springer%22">Springer </searchLink><i>Country of Publication: </i>Netherlands <i>NLM ID: </i>8710425 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1573-4951 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%220920654X%22">0920654X </searchLink><i>NLM ISO Abbreviation: </i>J Comput Aided Mol Des <i>Subsets: </i>MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=40768112 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1007/s10822-025-00634-z Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 58 Titles: – TitleFull: Exploring Oxazolidinone scaffolds for future antibiotics: synthesis and computational insights with DFT, docking, ADME and MD simulation. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Soni S – PersonEntity: Name: NameFull: Patil K – PersonEntity: Name: NameFull: Gavale S – PersonEntity: Name: NameFull: Pathan S – PersonEntity: Name: NameFull: Yadav R – PersonEntity: Name: NameFull: Murumkar PR – PersonEntity: Name: NameFull: Kadu R IsPartOfRelationships: – BibEntity: Dates: – D: 06 M: 08 Text: 2025 Aug 06 Type: published Y: 2025 Identifiers: – Type: issn-electronic Value: 1573-4951 Numbering: – Type: volume Value: 39 – Type: issue Value: 1 Titles: – TitleFull: Journal of computer-aided molecular design Type: main |
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