Bhat Mahesh, Belagali Shiddappa Lagamappa
Environmental Chemistry Laboratory, Department of Studies in Environmental Science, University of Mysore, Manasagangothri, Mysore-570 006, Karnataka, India.
Future Med Chem. 2018 Jan;10(1):71-87. doi: 10.4155/fmc-2017-0138. Epub 2017 Dec 13.
Benzothiazole and pyrazoles are two important pharmacophores, the activity can be enhanced by conjugating them. Here, two novel series of the pyrazole-conjugated benzothiazole derivatives were synthesized.
Synthesized compounds were characterized by Fourier-transform infrared, LC-MS, H NMR and C NMR spectroscopic techniques. Synthesized compounds exhibited moderate antimicrobial, antioxidant and excellent anti-TB activities. In in vitro anti-TB activity, 4d and 4e exhibited 1.6 μg/ml minimum inhibitory concentration value. In order to rationalize the anti-TB activity, molecular docking studies were carried out and they were correlated with the in vitro results.
Compounds containing electron donating groups show the promising antimicrobial and antioxidant activities, compounds with CH and Cl substitution show excellent anti-TB activity. Synthesized molecules may become potential candidates for the clinical trials.
苯并噻唑和吡唑是两种重要的药效基团，将它们共轭可增强活性。在此，合成了两个新型的吡唑共轭苯并噻唑衍生物系列。
通过傅里叶变换红外光谱、液相色谱 - 质谱、氢核磁共振和碳核磁共振光谱技术对合成的化合物进行了表征。合成的化合物表现出中等的抗菌、抗氧化和优异的抗结核活性。在体外抗结核活性方面，4d和4e表现出1.6μg/ml的最低抑菌浓度值。为了阐明抗结核活性，进行了分子对接研究，并将其与体外结果相关联。
含有供电子基团的化合物显示出有前景的抗菌和抗氧化活性，具有CH和Cl取代的化合物显示出优异的抗结核活性。合成的分子可能成为临床试验的潜在候选物。
