Pradeep Kumar, P. S. and Sunil, K. and Chethan, B. S. and Lokanath, N. K. and Madan, N. and Sajith, A. M. (2022) Synthesis, characterisation, biological and theoretical studies of novel pyridine derivatives. Molecular Physics, 120 (13). ISSN 1362-3028
Full text not available from this repository. (Request a copy)Abstract
Diversely functionalised pyrazolone analogues have been reported to display a wide range of biological activities. In this paper, we report the synthesis of a series of novel analogues based on piperidine fused pyrazolone core and explore its potential as novel antibacterial agents. The synthesised compounds were analysed using spectroscopic techniques such as H-1 NMR, LC-MS, and FT-IR. The major highlight involves the cyclisation reaction of tert-butyl-4-methyl 3-oxopiperidine-1,4-dicarboxylate with the hydrazine component to access the privileged piperdine fused pyrazolone scaffold. This scaffold was further treated with HCl to remove the amine protecting group and subsequently reacted with acid chlorides to deliver the final products in excellent yields. Density functional theory (DFT) calculations were performed to determine the various molecular properties of the synthesised compounds. Based on the reactive sites explored by the molecular electrostatic potential maps, the compounds were screened against two gram positive bacterial strains namely S. aureus, and M. luteus, and a gram negative bacterial strain namely E.coli.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Bicyclisation; pyrazole; DFT; NBO; biological activity |
| Subjects: | D Physical Science > Physics |
| Divisions: | Department of > Physics |
| Depositing User: | C Swapna Library Assistant |
| Date Deposited: | 20 Jul 2023 06:56 |
| Last Modified: | 20 Jul 2023 06:56 |
| URI: | http://eprints.uni-mysore.ac.in/id/eprint/17655 |
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