Jayapriya, E (2021) Design, Synthesis, Characterization and Biological Evaluation of Some Novel Isatin-Urea Schiff Base Derivatives as Antitubercular Agents Targeting ATP Synthase. Masters thesis, College of Pharmacy, Madras Medical College, Chennai.
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Abstract
TB is the most attractive areas of research, because it is the Second major cause of death due to an infectious disease in adults. ➢ Twenty-two countries of the world have the highest TB burden, among top five ranking countries are India, China, Indonesia, South Africa and Nigeria. ➢ Drug resistance TB plays a major challenge for the effective control of TB. ➢ Therefore, the current work aimed to synthesize some novel anti-tubercular compounds. ➢ Based on the literature review, ATP SYNTHASE of Mycobacterium tuberculosis was chosen as the target enzyme against which novel molecules were designed by performing structural modifications in the basic hetero nuclear scaffold Isatin. ➢ The designed molecules were docked against the target using the MGL tools. ➢ The top scored compounds were assessed for their in-silico drug likeness property and toxicity profile. ➢ The non-toxic molecules were synthesized by an appropriate laboratory process and they were coded from JP1 to JP5. Completion of the reaction was determined by TLC. ➢ The synthesized compounds were subjected to repeated recrystallization using ethanol and Purity of the compounds was ensured by sharp melting point. ➢ Further the compounds were characterized by spectroscopic analysis such as IR, NMR & LC-MS. ➢ Anti-tubercular activity of the purified compounds was evaluated by Microplate Alamar Blue Assay (MABA). The Compounds showed activity at 50 μg/ml and 100 μg/ml. ➢ Acute oral toxicity study was conducted on the Albino rats and the compounds were found to be safe & non-toxic. CONCLUSION: The current research work concludes that, 1. The synthesized compounds might effectively inhibit the chosen target ATP synthase which is involved in the energy metabolism of Mycobacterium Tuberculosis. 2. All the five compounds have the Docking score between 7 to -9.4 kcal/mol. There is no significant correlation between the score and activity of the compounds. 3. All the synthesized compounds posses anti-tubercular activity at the concentration of 50 μg/ml and 100 μg/ml. 4. Therefore, further modification of the molecular structure of the compounds is expected to yield promising drug candidates against the deadly disease Mycobacterium Tuberculosis.
| Item Type: | Thesis (Masters) |
|---|---|
| Additional Information: | 261915705 |
| Uncontrolled Keywords: | Design, Synthesis, Characterization, Biological Evaluation, Some Novel Isatin-Urea Schiff Base Derivatives, Antitubercular Agents, Targeting, ATP Synthase. |
| Subjects: | PHARMACY > Pharmaceutical Chemistry |
| Depositing User: | Subramani R |
| Date Deposited: | 02 Nov 2022 17:49 |
| Last Modified: | 03 Nov 2022 14:20 |
| URI: | http://repository-tnmgrmu.ac.in/id/eprint/20929 |
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