{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,24]],"date-time":"2026-10-24T08:37:25Z","timestamp":1792831045867,"version":"4.5.0"},"reference-count":33,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic Chemistry"],"published-print":{"date-parts":[[2026,11]]},"DOI":"10.1016\/j.bioorg.2026.110597","type":"journal-article","created":{"date-parts":[[2026,10,3]],"date-time":"2026-10-03T22:29:15Z","timestamp":1791066555000},"page":"110597","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["Design and synthesis of new 2-aminopyrimidine-thiazolidinone hybrids with enhanced antimicrobial activity: in-vitro evaluation and multiscale computational studies"],"prefix":"10.1016","volume":"183","author":[{"given":"Sabnam","family":"Parveen","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sheikh","family":"Murtuja","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mamata R.","family":"Rakhade","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Azim","family":"Ansari","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohd","family":"Usman","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Avantika","family":"Tyagi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rikeshwer Prasad","family":"Dewangan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vishnu Nayak","family":"Badavath","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ritchu","family":"Babbar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.bioorg.2026.110597_bb0005","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1080\/00397911.2023.2269582","article-title":"Recent insights into synthesis, biological activities, structure activity relationship and molecular interactions of thiazolidinone hybrids: a systematic review","volume":"54","author":"Parveen","year":"2024","journal-title":"Synth. Commun."},{"key":"10.1016\/j.bioorg.2026.110597_bb0010","doi-asserted-by":"crossref","first-page":"867","DOI":"10.2174\/1381612826666200206093815","article-title":"Heterocycle compounds with antimicrobial activity","volume":"26","author":"Fesatidou","year":"2020","journal-title":"Curr. Pharm. Des."},{"key":"10.1016\/j.bioorg.2026.110597_bb0015","first-page":"3689","article-title":"Design, synthesis, spectroscopic characterization of new pyrazole carbothioamides as antifungal and antibacterial candidates","volume":"11","author":"Nagaraj","year":"2021"},{"key":"10.1016\/j.bioorg.2026.110597_bb0020","doi-asserted-by":"crossref","first-page":"439","DOI":"10.4155\/fmc-2023-0304","article-title":"Synthesis and antimicrobial activity of thiophene-based heterocycles derived from thiophene-2-carbohydrazide","volume":"16","author":"El-Helw","year":"2024","journal-title":"Future Med. Chem."},{"key":"10.1016\/j.bioorg.2026.110597_bb0025","doi-asserted-by":"crossref","first-page":"406","DOI":"10.1016\/j.bioorg.2017.10.014","article-title":"Synthetic and medicinal perspective of thiazolidinones: a review","volume":"75","author":"Manjal","year":"2017","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2026.110597_bb0030","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1080\/10406638.2025.2552424","article-title":"Synthesis and in silico evaluation of thiazole, thiazolidinone, and pyrimidinethione candidates bearing a benzo [h] quinoline scaffold as potential antiproliferative agents","volume":"46","author":"El-Helw","year":"2026","journal-title":"Polycycl. Aromat. Compd."},{"key":"10.1016\/j.bioorg.2026.110597_bb0035","doi-asserted-by":"crossref","first-page":"109036","DOI":"10.1016\/j.bioorg.2025.109036","article-title":"Straightforward synthesis and in silico evaluation of pyrazolylthiazolidinone derivatives as prospective antiproliferative agents","volume":"165","author":"Ramadan","year":"2025","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2026.110597_bb0040","doi-asserted-by":"crossref","DOI":"10.1155\/2016\/8086762","article-title":"Novel 4-thiazolidinone derivatives as anti-infective agents: synthesis, characterization, and antimicrobial evaluation","volume":"2016","author":"Gupta","year":"2016","journal-title":"Biochem. Res. Int."},{"key":"10.1016\/j.bioorg.2026.110597_bb0045","first-page":"827","article-title":"Design, synthesis and in vitro antimicrobial activity of furan-based pyrimidine-thiazolidinones as potential bioactive molecules","volume":"62","author":"Desai","year":"2023","journal-title":"Indian J. Chem."},{"key":"10.1016\/j.bioorg.2026.110597_bb0050","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2024.116399","article-title":"Identification of CH2-linked quinolone-aminopyrimidine hybrids as potent anti-MRSA agents: low resistance potential and lack of cross-resistance with fluoroquinolone antibiotics","volume":"271","author":"Dai","year":"2024","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.bioorg.2026.110597_bb0055","doi-asserted-by":"crossref","first-page":"409","DOI":"10.1080\/00397911.2026.2634260","article-title":"Antibacterial activity and DNA gyrase inhibitory potency of some novel pyrazolo [1, 5-a] pyrimidine-based thiazolidin-4-one hybrids linked to aryl units","volume":"56","author":"Ahmed","year":"2026","journal-title":"Synth. Commun."},{"key":"10.1016\/j.bioorg.2026.110597_bb0060","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2024.138004","article-title":"Synthesis, characterization, DFT, antibacterial, ADME-T properties, and molecular docking of new N-functionalized thiazolidinones","volume":"1307","author":"Boudissa","year":"2024","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2026.110597_bb0065","doi-asserted-by":"crossref","DOI":"10.1016\/j.bmc.2022.117095","article-title":"Synthesis and antibiofilm evaluation of N-acyl-2-aminopyrimidine derivatives against Acinetobacter baumannii","volume":"76","author":"Jia","year":"2022","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.bioorg.2026.110597_bb0070","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2023.134912","article-title":"Design, synthesis, molecular dynamic simulation studies, and antibacterial evaluation of new spirocyclic aminopyrimidines","volume":"1278","author":"Ragab","year":"2023","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.bioorg.2026.110597_bb0075","doi-asserted-by":"crossref","first-page":"935","DOI":"10.4155\/fmc-2017-0168","article-title":"Folate biosynthesis pathway: mechanisms and insights into drug design for infectious diseases","volume":"10","author":"Bertacine Dias","year":"2018","journal-title":"Future Med. Chem."},{"key":"10.1016\/j.bioorg.2026.110597_bb0080","doi-asserted-by":"crossref","first-page":"941","DOI":"10.1016\/j.bcp.2005.10.052","article-title":"Dihydrofolate reductase inhibitors as antibacterial agents","volume":"71","author":"Hawser","year":"2006","journal-title":"Biochem. Pharmacol."},{"key":"10.1016\/j.bioorg.2026.110597_bb0085","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1038\/s41429-019-0240-6","article-title":"Trimethoprim and other nonclassical antifolates an excellent template for searching modifications of dihydrofolate reductase enzyme inhibitors","volume":"73","author":"Wr\u00f3bel","year":"2020","journal-title":"J. Antibiot. (Tokyo)"},{"key":"10.1016\/j.bioorg.2026.110597_bb0090","doi-asserted-by":"crossref","first-page":"751","DOI":"10.1107\/S0907444909013936","article-title":"Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus","volume":"65","author":"Oefner","year":"2009","journal-title":"Biol. Crystallogr."},{"key":"10.1016\/j.bioorg.2026.110597_bb0095","doi-asserted-by":"crossref","first-page":"2643","DOI":"10.1021\/jm401916j","article-title":"Propargyl-linked antifolates are dual inhibitors of Candida albicans and Candida glabrata","volume":"57","author":"G-Dayanandan","year":"2014","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2026.110597_bb0100","doi-asserted-by":"crossref","DOI":"10.1016\/j.rechem.2025.102175","article-title":"Unveiling the antimicrobial activity of some new Quinazolindione-anchored pyrazole, chromene and\/or furo [2, 3-b] indole hybrids through acylthiourea conjugate: synthesis, molecular docking, Semiempirical calculations and ADMET prediction","volume":"15","author":"Abdelmonsef","year":"2025","journal-title":"Results Chem."},{"key":"10.1016\/j.bioorg.2026.110597_bb0105","doi-asserted-by":"crossref","first-page":"11987","DOI":"10.1080\/07391102.2022.2164357","article-title":"Hybrids of thiazolidinone with 1, 2, 3-triazole derivatives: design, synthesis, biological evaluation, in silico studies, molecular docking, molecular dynamics simulations, and ADMET profiling","volume":"41","author":"Bimoussa","year":"2023","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.bioorg.2026.110597_bb0110","doi-asserted-by":"crossref","DOI":"10.3390\/molecules27061930","article-title":"Thiazolidin-4-ones as potential antimicrobial agents: experimental and in silico evaluation","volume":"27","author":"Tratrat","year":"2022","journal-title":"Molecules"},{"key":"10.1016\/j.bioorg.2026.110597_bb0115","article-title":"Design, synthesis, and biological evaluation of novel thiazolidinone-containing quinoxaline-1, 4-di-N-oxides as antimycobacterial and antifungal agents","volume":"8","author":"Zhang","year":"2020","journal-title":"Front. Chem."},{"issue":"2","key":"10.1016\/j.bioorg.2026.110597_bb0120","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1039\/C4MD00399C","article-title":"4-Thiazolidinone derivatives as potent antimicrobial agents: microwave-assisted synthesis, biological evaluation and docking studies","volume":"6","author":"Pitta","year":"2015","journal-title":"MedChemComm"},{"key":"10.1016\/j.bioorg.2026.110597_bb0125","doi-asserted-by":"crossref","first-page":"5435","DOI":"10.1128\/AAC.03391-14","article-title":"N-terminally modified linear and branched spermine backbone dipeptidomimetics against planktonic and sessile methicillin-resistant Staphylococcus aureus","volume":"58","author":"Prasad","year":"2014","journal-title":"Antimicrob. Agents Chemother."},{"key":"10.1016\/j.bioorg.2026.110597_bb0130","doi-asserted-by":"crossref","first-page":"1131","DOI":"10.1007\/s00044-012-0115-x","article-title":"Design, synthesis and molecular modelling of novel 4-thiazolidinones of potential activity against gram positive bacteria","volume":"22","author":"Radwan","year":"2013","journal-title":"Med. Chem. Res."},{"key":"10.1016\/j.bioorg.2026.110597_bb0135","doi-asserted-by":"crossref","first-page":"1772","DOI":"10.1007\/s00044-017-1837-6","article-title":"Synthesis and evaluation of antibacterial and antifungal activities of 4-thiazolidinones and 2-azetidinones derivatives from chalcone","volume":"26","author":"Patel","year":"2017","journal-title":"Med. Chem. Res."},{"key":"10.1016\/j.bioorg.2026.110597_bb0140","first-page":"371","article-title":"Synthesis, characterization and biological evaluation of thioureas, acylthioureas and 4-thiazolidinones as anticancer and antiviral agents","volume":"21","author":"Kulabaa","year":"2017","journal-title":"Marmara Pharm. J."},{"key":"10.1016\/j.bioorg.2026.110597_bb0145","doi-asserted-by":"crossref","DOI":"10.1002\/ardp.201900309","article-title":"Synthesis, in-vitro and in-silico study of novel thiazoles as potent antibacterial agents and MurB inhibitors","volume":"353","author":"Sanad","year":"2020","journal-title":"Arch. Pharm. (Weinheim)."},{"key":"10.1016\/j.bioorg.2026.110597_bb0150","first-page":"80","article-title":"Design, synthesis and biological evaluation of new substituted 5-benzylideno-2-adamantylthiazol [3, 2-b][1, 2, 4] triazol-6 (5H) ones. Pharmacophore models for antifungal activity","volume":"13","author":"Paparisva","year":"2016","journal-title":"J. Chem."},{"key":"10.1016\/j.bioorg.2026.110597_bb0155","first-page":"102","article-title":"Computational analysis of novel 4-thiazolidinone derivatives as potential anti-breast cancer agents: docking, pharmacokinetics, and molecular dynamics study","volume":"1","author":"Isa","year":"2024","journal-title":"Med. Med. Chem."},{"key":"10.1016\/j.bioorg.2026.110597_bb0160","doi-asserted-by":"crossref","first-page":"1246","DOI":"10.1080\/14786419.2024.2421907","article-title":"Identification of catechin as main protease inhibitor of SARS-CoV-2 omicron variant using molecular docking, molecular dynamics, PCA, DCCM, MM\/GBSA and ADMET profiling","volume":"40","author":"Gyawali","year":"2026","journal-title":"Nat. Prod. Res."},{"key":"10.1016\/j.bioorg.2026.110597_bb0165","doi-asserted-by":"crossref","DOI":"10.1016\/j.cmpb.2020.105660","article-title":"Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis","volume":"195","author":"Al-Khafaji","year":"2020","journal-title":"Comput. Methods Programs Biomed."}],"container-title":["Bioorganic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206826011338?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206826011338?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,10,24]],"date-time":"2026-10-24T08:02:21Z","timestamp":1792828941000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0045206826011338"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,11]]},"references-count":33,"alternative-id":["S0045206826011338"],"URL":"https:\/\/doi.org\/10.1016\/j.bioorg.2026.110597","relation":{},"ISSN":["0045-2068"],"issn-type":[{"value":"0045-2068","type":"print"}],"subject":[],"published":{"date-parts":[[2026,11]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Design and synthesis of new 2-aminopyrimidine-thiazolidinone hybrids with enhanced antimicrobial activity: in-vitro evaluation and multiscale computational studies","name":"articletitle","label":"Article Title"},{"value":"Bioorganic Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bioorg.2026.110597","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 Elsevier Inc. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"110597"}}