Prasidha, R (2019) Design of Newer Pyridine Linked Pyrazole Derivatives as Possible Pfenr and E.coli Fabi Inhibitors. Masters thesis, Sri Ramakrishna Institute of Paramedical Sciences.
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Abstract
The present study establishes that computational tools help in minimizing the tedious process of drug discovery and delivers new drug candidate more quickly. Virtual screening was utilized for filtering the compounds and selecting the lead compounds. The drug likeness score established the compounds to be pharmacokinetically active. The binding energy obtained from docking study further confirmed the possibility of the affinity of the selected leads towards the enzyme, enoyl ACP reductase from Plasmodium falciparum and Escherichia coli. Using the schemes various pyridyl pyrazole derivatives were synthesized with good yield. Structure of the synthesized compounds were confirmed by Melting point, TLC, UV, NMR and MASS spectra. The compounds were screened for antimalarial and antibacterial activity. Thus, the present study depicts that the utilization of computer aided drug design is an efficient tool in predicting the effectiveness of a series of compounds under study and thus can result in the design of potent antimalarial and antibacterial agents.
| Item Type: | Thesis (Masters) |
|---|---|
| Uncontrolled Keywords: | E.Coli Fabi Inhibitors, Pyrazole Derivatives, Pfenr |
| Subjects: | PHARMACY > Pharmaceutical Chemistry |
| Depositing User: | Ramakrishnan J |
| Date Deposited: | 01 Apr 2022 05:18 |
| Last Modified: | 01 Apr 2022 05:18 |
| URI: | http://repository-tnmgrmu.ac.in/id/eprint/19124 |
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