Journal
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
Volume 123, Issue -, Pages 508-513Publisher
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
DOI: 10.1016/j.ejmech.2016.07.062
Keywords
Thiazoles; Antimicrobial; Simulation studies; MIC; MBC/MFC
Categories
Funding
- Brazilian Higher Education Personnel Training Coordination (CAPES: Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior)
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Trisubstituted thiazoles were synthesized and studied for their antimicrobial activity and supported by theoretical calculations. In addition, MIC, MBC and MFC were also tested. Moreover, the present study was analyzed to scrutinize comprehensive structure-activity relationships. In fact, LUMO orbital energy and orbital orientation was reliable to explain their antibacterial and antifungal assay. Amongst the tested compounds, tri-methyl-substituted thiazole compound showed higher antimicrobial activity and low MIC value due to highest LUMO energy. (C) 2016 Elsevier Masson SAS. All rights reserved.
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