Subhashini, A (2021) Synthesis, Characterization, Insilico Studies, and Biological Evaluation of Novel Hybrid Chalcone Derivatives as Antibacterial Agents. Masters thesis, C. L. Baid Metha College of Pharmacy, Chennai.
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Abstract
All the designed compounds were subjected to molecular docking studies for structural and interaction information. Ciprofloxacin and all designed compound 3a-t were docked in the active site of DNA gyrase subunit B and Binding affinities was calculated. Compound 3b, 3d, 3f, 3j and 3r had good binding affinities values of -7.8, -8, -8.2, -8.2 and -7.5 respectively than ciprofloxacin. Molecular docking studies revealed that the designed compounds interacted with DNA gyrase subunit B mainly through hydrogen bond and hydrophobic interaction. In silico studies were performed for all the compounds using Swiss ADME, PreADMET, Molinspiration, and Protox II. Based on docking and insilico studies, five compounds with good docking score and passing Lipinski’s rule were selected for synthesis. Chemical structures of the synthesized compounds were ascertained on the basic of their spectral data (IR and Mass). Invitro antibacterial activity for the synthesized compounds was performed by Agar-well diffusion method. The analysis of antibacterial activity results indicated that the compound 3d with 2, Bromo-4,5-dimethoxy benzaldehyde derivative, compound 3j with syringaldehyde derivative and compound 3r with para dimethyl aminobenzaldehyde derivative showed good activity and Compound 3b with vanillin derivative and compound 3f with 2,4-dimethoxybenzaldehyde exhibited lesser activity than standard gentamicin antibiotic against E.coli. In this view, the above work its basic concluded that the novel hybrid benzimidazolyl chalcone with a promising target and it can show effective antimicrobial agent.
| Item Type: | Thesis (Masters) |
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| Additional Information: | 261915011 |
| Uncontrolled Keywords: | Synthesis, Characterization, Insilico Studies, Biological Evaluation, Novel Hybrid Chalcone Derivatives, Antibacterial Agents. |
| Subjects: | PHARMACY > Pharmaceutical Chemistry |
| Depositing User: | Subramani R |
| Date Deposited: | 02 Nov 2022 17:13 |
| Last Modified: | 02 Nov 2022 18:08 |
| URI: | http://repository-tnmgrmu.ac.in/id/eprint/20912 |
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