Department of Pharmaceutical Chemistry, Nirma University, Gujarat, India.
Med Chem. 2013 May;9(3):474-85. doi: 10.2174/1573406411309030017.
A novel series of benzimidazolo thiazolidinones, thiazinones and 5-arylidene-2-imino thiazolidinones were synthesized and evaluated for antibacterial activity. The compounds were synthesized in excellent yield and the structures were characterized on the basis of IR, 1H-NMR and MASS spectral data. Most of the synthesized compounds showed good antibacterial activity against Gram-positive and Gram-negative bacteria. QSAR study was carried out with synthesized compounds using molecular descriptors such as electronic, thermodynamic and steric. Molecular descriptors were used to derive QSAR models between antibacterial activity and structural properties. QSAR study suggested the need of a bulky group to enhance the antibacterial activity in these series of compounds.
合成了一系列新型苯并咪唑噻唑烷酮、噻嗪酮和 5-芳亚甲基-2-亚氨基噻唑烷酮，并评估了它们的抗菌活性。这些化合物的产率很高，其结构是基于 IR、1H-NMR 和 MASS 谱数据来表征的。大多数合成的化合物对革兰氏阳性菌和革兰氏阴性菌均显示出良好的抗菌活性。使用电子、热力学和空间等分子描述符对合成化合物进行了 QSAR 研究。分子描述符用于推导抗菌活性与结构特性之间的 QSAR 模型。QSAR 研究表明，在这些系列化合物中，需要一个大基团来增强抗菌活性。
