Microwave irradiated one pot, three component synthesis of a new series of hybrid coumarin based thiazoles: Antibacterial evaluation and molecular docking studies

• Published in: Journal of molecular structure 2021-02, Vol.1225, p.129114, Article 129114
• Main Authors: Mamidala, Srikanth, Peddi, Sudhir Reddy, Aravilli, R Kowshik, Jilloju, Parameshwara Chary, Manga, Vijjulatha, Vedula, Rajeswar Rao
• Format: Article
• Language: English
• Subjects: Coumarin based thiazoles; Gram positive; Microwave irradiation; Molecular Docking
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2020.129114

•A green synthetic microwave irradiated protocol was developed for the synthesis of new coumarin based thiazoles (4a-n, 5a, b).•The synthesized hybrids were evaluated for their in vitro anti bacterial activity against a gram positive spheroid firmicute.•A good correlation was obtained between the experimental data and docking scores.•The present work will be fuelling the scientists and researchers to develop more potent anti bacterial agents in near future. A series of new coumarin based thiazoles were synthesized by the microwave irradiation of thiocarbohydrazide, aldehydes and 3-(2-bromoacetyl) coumarins. Structures of all the synthesized compounds were confirmed by spectral (1H &13C NMR, FTIR, Mass) and analytical data. The target compounds were screened for their in vitro cytotoxic activity against a Gram positive spheroid firmicute. From the in vitro results, it was found that the compound 4e has bordering on activity with the standard. Furthermore docking studies were also done on these hybrids which endorsed well with the in vitro results. [Display omitted]