Biochemical Evaluation of potential antibacterial activities of (2,6-Diethylphenyl)-5-Oxopyrolidine Derivatives via in-silico study
| dc.contributor.author | Olamide A. Olalekan | |
| dc.date.accessioned | 2025-05-29T14:35:57Z | |
| dc.date.available | 2025-05-29T14:35:57Z | |
| dc.date.issued | 2024-07-31 | |
| dc.description.abstract | The focus of several researchers has been drawn to the surge in bacterial activity among humans and the resistance to antibacterial agents. the increasing interest in developing long-lasting antibacterial agents has been observed. therefore, the purpose of this study was to use an in- silico approach to examine the specific inhibitory activities of the of pyrrolidine derivatives against the investigated receptor. therefore, the inhibitory activities of the (2,6-diethylphenyl)-5-oxopyrrolidine derivatives were investigated using an in silico approach. In this study, various software programs were employed, including Spartan 14, AutoDock Tools, AutoDock Vina, and Discovery Studio. Compound 9 exhibits the greatest propensity to yield electrons, as indicated by the calculated HOMO, and according to LUMO and bandgap, compound 5 demonstrates the highest potential to accept electrons and exhibit superior reactivity among the other compounds studied. compounds 8 to 12 displayed the most potent ability to inhibit the bacillus cereus spor-lytic enzyme(PDB ID:4PHQ) and cytolysin A(ClyA) CC6/ 264 ox (6-303) SleL ()PDB ID: 4S3J) compared tp other studied ligands. our findings may open the door for th design of collection of proficient pyrolidine-based drug- like molecules as potential antibacterial agents. | |
| dc.identifier.uri | 10.55463/issn.1674-2974.51.7.16 | |
| dc.identifier.uri | https://repository.run.edu.ng/handle/123456789/5029 | |
| dc.language.iso | en | |
| dc.publisher | Journal of Hunan University(Natural Sciences) | |
| dc.relation.ispartofseries | 51; 07 | |
| dc.title | Biochemical Evaluation of potential antibacterial activities of (2,6-Diethylphenyl)-5-Oxopyrolidine Derivatives via in-silico study | |
| dc.type | Article |