Department of Pharmaceutical Chemistry, KLE College of Pharmacy, Belagavi, KLE Academy of Higher Education and Research, Belagavi, Karnataka, India.
School of Chemical and Biotechnology, SASTRA Deemed to be University, Thanjavur, India.
J Biomol Struct Dyn. 2022 Sep;40(14):6211-6227. doi: 10.1080/07391102.2021.1880479. Epub 2021 Feb 4.
New thiazole-thiazolidinedione hybrids () were efficiently synthesized and evaluated for their in-vitro antimicrobial activity against four fungal and bacterial strains. The chemical structures of the compounds were elucidated by FTIR, H NMR, and C NMR spectral data. Most of the synthesized compounds were sensitive against gram positive, gram negative bacterial and fungal strains. Among the synthesized molecules, compounds , and exhibited promising inhibitory activity against all selected fungal strains and gram positive bacteria namely, , and . The molecular docking results predicted that the thiazole-thiazolidinedione derivatives bind to the active site protein ATP-binding pocket from E. coli, S. aureus and C. albicans with good interaction energy scores. Ct-DNA was used to evaluate the binding interactions of the selected compounds by means of absorption spectroscopy. To further characterize the drug-likeness and ADME properties were calculated using the Qikprop, the result of present study suggests that thiazole-thiazolidinedione hybrid could be an interesting approach for the design of new antimicrobial agents.Communicated by Ramaswamy H. Sarma.
新的噻唑-噻唑烷二酮杂合体（）被高效合成，并对其抗四种真菌和细菌菌株的体外抗菌活性进行了评估。化合物的化学结构通过 FTIR、H NMR 和 C NMR 光谱数据得到阐明。大多数合成的化合物对革兰氏阳性、革兰氏阴性细菌和真菌菌株敏感。在所合成的分子中，化合物和表现出对所有选定的真菌菌株和革兰氏阳性菌即、和的有希望的抑制活性。分子对接结果预测噻唑-噻唑烷二酮衍生物与大肠杆菌、金黄色葡萄球菌和白色念珠菌的活性位点蛋白 ATP 结合口袋结合，具有良好的相互作用能量评分。Ct-DNA 用于通过吸收光谱评估所选化合物的结合相互作用。为了进一步表征药物样性质和 ADME 特性，使用 Qikprop 进行了计算，本研究的结果表明，噻唑-噻唑烷二酮杂合体可能是设计新型抗菌剂的有趣方法。由 Ramaswamy H. Sarma 传达。
