Kathiravan, M (2019) Synthesis, Characterization, Molecular Docking of Some Novel Benzofuran Chalcone Derivatives and their Evaluation of Invitro Anti Cancer Activity. Masters thesis, College of Pharmacy, Madurai Medical College, Madurai.
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Abstract
The molecules were designed by the software tools and the lead molecules of Benzofuran-chalcone were synthesized by “ CLAISEN-SCHMIDT REACTION” • The formation of molecules was confirmed by TLC. • The structure of synthesized compounds (5a-e) were confirmed by FT-IR, 1HNMR, MASS Spectroscopy. • The IR data’s showed relavant peaks for C=C, C-H, C=N, C=O groups. The 1HNMR also showed relavant proton peaks for all synthesized compounds. The MASS spectrum confirm the molecular ion peak of all synthesized compounds (5a-e). • The synthesized compounds (5a-e) were evaluated invitro anti-cancer activity of Liver cancer (HepG2) and Breast cancer (MCF-7) two cell lines by using MTT Assay • Invitro anticancer activity reported the synthesised compounds 5a and 5b were potent activity against breast cancer cells (MCF-7) • And the synthesised compounds 5c and 5d were significant activity against Liver cells (HepG2) • Based on results of invitro anticancer activity additionally predict insilico molecular docking study for having the major potent compounds 5a, 5b and 5c. • The compounds 5a, 5b and 5c were dock with the two major taget proteins. The PDB id of 1MOX (lung cancer) and 2DSQ (breast epithelian cancer) were selected and obtained from protein data bank (PDB). were selected for INSILICO study • In the post docking screening the best binding pose and total energy of each ligand was analysed. The details of best binding pose and total energy values were saved in output folder. • Protein-ligand binding site was analysed and visualized. Its results majorly compounds 5a and 5b are the best binding pose with targets.
| Item Type: | Thesis (Masters) |
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| Additional Information: | 261715753 |
| Uncontrolled Keywords: | Synthesis, Characterization, Molecular Docking, Benzofuran Chalcone Derivatives, Invitro Anti Cancer Activity |
| Subjects: | PHARMACY > Pharmaceutical Chemistry |
| Depositing User: | Ramakrishnan J |
| Date Deposited: | 10 May 2022 08:56 |
| Last Modified: | 10 May 2022 08:56 |
| URI: | http://repository-tnmgrmu.ac.in/id/eprint/20010 |
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