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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.
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
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
Description
ISSN:1573-4951
DOI:10.1007/s10822-025-00634-z