Journal of Molecular Structure 1225 (2021) 129114 Contents lists available at ScienceDirect Journal of Molecular Structure journal homepage: www.elsevier.com/locate/molstr Microwave irradiated one pot, three component synthesis of a new series of hybrid coumarin based thiazoles: Antibacterial evaluation and molecular docking studies Srikanth Mamidala a , Sudhir Reddy Peddi b , R Kowshik Aravilli c , Parameshwara Chary Jilloju a , Vijjulatha Manga b , Rajeswar Rao Vedula a,∗ a Department of Chemistry, National Institute of Technology, 506004 Warangal, Telangana, India b Molecular Modeling and Medicinal Chemistry Group, Department of Chemistry, University College of Science, Osmania University, 500007 Hyderabad, Telangana, India c Department of Biotechnology, National Institute of Technology, 506004 Warangal, Telangana, India a r t i c l e i n f o Article history: Received 5 June 2020 Revised 13 August 2020 Accepted 18 August 2020 Available online 19 August 2020 Keywords: Microwave irradiation Coumarin based thiazoles Gram positive Molecular Docking a b s t r a c t A series of new coumarin based thiazoles were synthesized by the microwave irradiation of thiocar- bohydrazide, aldehydes and 3-(2-bromoacetyl) coumarins. Structures of all the synthesized compounds were confirmed by spectral ( 1 H & 13 C 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. © 2020 Elsevier B.V. All rights reserved. 1. Introduction Indeed from the past so many years forth, the second prime cause of death because of infections [1–3], which is caused by only microorganisms and also microorganisms resistance to multiple antifungal and antibacterial agents have become a major issue [4,5]. The birth of multidrug resistant microbes in various bacterial strains is an alarming element [6,7]. Hence evolution and discov- ery of novel antibiotics are compulsory to eradicate the growth of MDR pathogens. Staphylococcus aureus is a Gram positive bacteria, it is connected with hospital infections, which causes pneumonia, skin infections, bacteremia and also endocarditis [8,9]. As per the Liu et al., S.aureus may become unsusceptible to lincomycins, me- thicillin, tetracyclines, pencillins, vancomycin and rifampicin [10]. Furthermore, natural products [11] have a vital impact on medicinal chemistry, drug discovery. Coumarins are some of the most abundant metabolites found in extracts of many plant fami- lies, such as Euphorbiaceae, Rutaceae, Orchidaceae, and Asteraceae ∗ Corresponding author. E-mail address: rajeswarnitw@gmail.com (R.R. Vedula). [12,13]. Coumarin and its analogues having exceptional biologi- cal activity, these are reported for promising anti-bacterial [14], antifungal [15] and also modulators of antibiotic resistance [16]. And also thiazole ring is available in different natural products [17–19]. Thiazole ring has stimulated a great deal of attraction due to their antineoplastic [20], anti-microbial [21–23], antiviral [24], antimycobacterial [25], HIV infections [26], antihelminthic agent [27], allergies [28] and also treatment of hypertension [29], FabH inhibitors [30], CNS active agents [31] at the same time, diligent literature survey is showing that, thiazole ring associated with coumarin has phenomenal biological activity. Some of the biolog- ical imperative compounds containing coumarin, thiazole and also hybrid coumarin and thiazole scaffolds [15,32] were shown Fig. 1. In continuation of our earlier work on thiazoles [33,34], herein we would like to communicate a green approach for medicinally important coumarin based thiazole compounds. In green chemistry [35,36] environment congenial methodologies for instance multi- component reaction approach [37–39], aqueous medium reactions [40,41], solid phase synthesis [42,43], solvent free reactions [44– 46], ultra sonication [47,48], microwave irradiation [49,50] and so forth. Among these methodologies microwave irradiation and https://doi.org/10.1016/j.molstruc.2020.129114 0022-2860/© 2020 Elsevier B.V. All rights reserved.