Dhivya, L S (2019) Design, Synthesis,Characterization and Biological Evaluation of Some Novel Heterocyclic Anti-Tubercular Agents against Inha (Enoyl Acyl Carrier Reductase Protein)Enzyme. Masters thesis, College of Pharmacy, Madras Medical College, Chennai.
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Abstract
InhA, a critical enzyme for the cell wall synthesis of Mycobacterium tuberculosis, was chosen for the study after review of literature. 2. Candidate molecules were designed and docked against protein using Autodock® Tools 1.5.6 software. 3. The selected molecules were subjected to Toxicity prediction assessment by OSIRIS® software. The results are color coded as green color which confirms the drug likeness. 4. Molecules with good Docking score (lower binding energy) and interactions were shortlisted for synthesis. The reaction conditions were optimized. 5. Compounds were synthesized by conventional method and labeled as DKN-5, DKN-6, DKN-7, DKN-8, DKN-9, DKN-10. 6. Purity of the synthesized compounds was ensured by repeated recrystallization with ethanol. 7. Further the compounds were evaluated by TLC and Melting point determination. 8. The characterization of the synthesized compounds was done using Infra-red (IR), Nuclear Magnetic Resonance (H1 NMR) and Mass spectrometric method,(LC-MS). 9. The pure compounds were screened for In-vitro Anti- tubercular activity by Micro plate Alamar Blue Assay (MABA). All compounds showed a significant Anti-Mycobacterium activity. 10. The synthesized compounds were active at 25-50μg/ml, which were compared to the known anti-TB drugs: Pyrazinamide - 3.125μg/ml, Ciprofloxacin - 3.125μg/ml and Streptomycin - 6.25μg/ml. CONCLUSION Work Concludes that the synthesized molecules are effective in inhibiting the target enzyme InhA , which is important for the growth of Mycobacterium Tuberculosis Cell wall. All the six compounds gave Docking score between -7.52 to -9.39kcal/mol They exhibited the better Docking score than the standard Anti-TB drugs like Pyrazinamide 4.41kcal/mol by using AUTODOCK® Software. Further structural refinement to the structure of the synthesized compounds is expected to yeild promising molecules against the pathogen Mycobacterium Tuberculosis
| Item Type: | Thesis (Masters) |
|---|---|
| Additional Information: | 261715701 |
| Uncontrolled Keywords: | Design, Synthesis,Characterization, Biological Evaluation, Heterocyclic Anti-Tubercular Agents, Inha (Enoyl Acyl Carrier Reductase Protein)Enzyme. |
| Subjects: | PHARMACY > Pharmaceutical Chemistry |
| Depositing User: | Ramakrishnan J |
| Date Deposited: | 12 May 2022 05:24 |
| Last Modified: | 12 May 2022 05:24 |
| URI: | http://repository-tnmgrmu.ac.in/id/eprint/20020 |
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