In-silico pharmacokinetics and toxicity studies of novel antibacterial 2-(((2-chloroquinolin-3-yl)methyl)amino)-4-methyl-N-substituted-phenylthiazole-5-carboxamide compounds
Author(s):
Arun Kumar
Abstract:
In the current study, a novel series of (2-(((2-chloroquinolin-3-yl)methyl)amino)thiazol-5-yl)(substituted-phenyl)methanone compounds (8a-8j) was synthesised through a multi-step synthetic process. Structural elucidation of these newly synthesized substituted-2-aminothiazole was achieved using combination of analytical techniques, comprising proton nuclear magnetic resonance (PNMR), mass spectrometry, and FTIR. An in-vitro investigation was performed to measure the efficacy of antibacterial characteristics of these novel compounds (8a-8o). Specifically, their inhibitory antibacterial activity against key bacterial strains, including P. aeruginosa, S. aureus, B. subtilis, and E. coli was ascertained employing the agar diffusion technique. The results of antibacterial screening disclosed that, all the compounds were able to inhibit the growth of bacterial strain tested at conc. of 6.25 µg/ml to 100 µg/ml. The lowest MIC of 6.25 µg/ml against the E. coli strain was shown by compounds 8a, 8c, 8e and 8i, while lowest MIC of 12.5 µg/ml against S. aureus was recorded by compounds 8a, 8c, 8e and 8i. The lowest MC of 25 µg/ml activity against P. auroginosa was exhibited by compound 8e, 8h and 8i and B. subtilis by compound 8e and 8i at 12.5 µg/ml/. In-silico ADME and toxicity studies revealed that compounds are fairly compatible and were predicted to be toxic for liver, brain, lungs, immunotoxicity etc.