{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,11]],"date-time":"2026-02-11T17:35:19Z","timestamp":1770831319106,"version":"3.50.1"},"reference-count":37,"publisher":"Wiley","issue":"9","license":[{"start":{"date-parts":[[2024,8,31]],"date-time":"2024-08-31T00:00:00Z","timestamp":1725062400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["J Biochem &amp;amp; Molecular Tox"],"published-print":{"date-parts":[[2024,9]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Two series of C\u2010Mannich base derivatives were synthesized and evaluated through the reaction of formaldehyde, two thiazolo\u2010pyrimidine compounds, and various 2\u00b0\u2010amines. The chemical structures and inherent properties of the synthesized compounds were authenticated using a variety of spectroscopic techniques. The aseptic bactericidal potential of the compounds was assessed alongside five common bacterial microbes, with Ampicillin employed as the reference drug. Compounds <jats:bold>9b<\/jats:bold> and <jats:bold>9d<\/jats:bold> demonstrated comparable antibacterial activity to ampicillin against <jats:italic>Bacillus subtilis<\/jats:italic> and <jats:italic>Bacillus megaterium,<\/jats:italic> respectively, at 100\u2009\u03bcg\/mL. Furthermore, compounds <jats:bold>9f<\/jats:bold> and <jats:bold>10f<\/jats:bold> exhibited noteworthy action against <jats:italic>Staphylococcus aureus<\/jats:italic> (MIC: 250\u2009\u03bcg\/mL). Compounds <jats:bold>10b<\/jats:bold> and <jats:bold>10f<\/jats:bold> displayed excellent efficacy versus <jats:italic>Escherichia coli<\/jats:italic>, boasting (MIC: 50\u2009\u03bcg\/mL). Molecular docking studies elucidated the necessary connections and energies of molecular entities with the <jats:italic>E. coli<\/jats:italic> DNA gyrase B enzyme, a pivotal target in bacterial DNA replication. Further thermodynamic stability of the ligand\u2010receptor complex of <jats:bold>10b<\/jats:bold> and <jats:bold>10f<\/jats:bold> were further validated though 200\u2009ns molecular dynamics simulation. The findings highlight the potential of these synthesized derivatives as effective antibacterial agents and provide valuable insights into their mechanism of action.<\/jats:p>","DOI":"10.1002\/jbt.23822","type":"journal-article","created":{"date-parts":[[2024,8,31]],"date-time":"2024-08-31T14:14:16Z","timestamp":1725113656000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Unveiling the antibacterial efficacy of thiazolo [3,2\u2010a] pyrimidine: Synthesis, molecular docking, and molecular dynamic simulation"],"prefix":"10.1002","volume":"38","author":[{"ORCID":"https:\/\/orcid.org\/0009-0000-2858-0092","authenticated-orcid":false,"given":"Vishant C.","family":"Patel","sequence":"first","affiliation":[{"name":"Shri Alpesh N. 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