Muthumari, C (2019) Design, Synthesis and Anti- Cancer Activity of Some Novel Thiazolidinedione Mannich Bases. Masters thesis, Arulmigu Kalasalingam College of Pharmacy, Krishnankoil.
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Abstract
The novel furfuryl thiazolidinedione Mannich bases were designed manually using Molgro Virtual Docker. The designed compounds were analyzed in order to predict the best score compounds . Based on the in silico docking studies, the best scored compounds were selected for the synthesis using scheme 1. The synthesized compounds were characterized by their FT-IR, 1H NMR and their Mass spectra. The confirmed compounds were subjected to in vitro anti-cancer activity with U937 using MTT method. All the compounds showed good anicancer activity. Among them, the compound TZD 36 [(5E)-3-[(diphenylamino)methyl]-5- [(furan-2-yl)methylidene]- 1,3-thiazolidine-2,4-dione] showed better anti-cancer activity with a cell viability of 23.89% and IC50 value of 62.5 μg/ml. The anti-cancer activity compound TZD 36 was subjected to in silico docking studies in order to predict the probable binding site against anaplastic lymphoma kinase (PDB code: 2XB7). From the in silico studies, compound 36 showed amino acids are linked via hydrogen bonding wit the ligand and amino acids like were shoed stearic interaction with the ligand. From the above results, we conclude that these interactions maybe the reason for the better activity than the other synthesized compounds. Moreover, we planned to analyze further all the compounds for other ailments.
| Item Type: | Thesis (Masters) |
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| Additional Information: | 261715353 |
| Uncontrolled Keywords: | Design, Synthesis, Anti- Cancer Activity, Thiazolidinedione Mannich Bases |
| Subjects: | PHARMACY > Pharmaceutical Chemistry |
| Depositing User: | Ramakrishnan J |
| Date Deposited: | 12 May 2022 05:41 |
| Last Modified: | 12 May 2022 05:41 |
| URI: | http://repository-tnmgrmu.ac.in/id/eprint/20021 |
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