Pavithra, P (2021) Design, Docking, Synthesis and Pharmacological Evaluation of Novel Derivatives as Anticancer Agent. Masters thesis, C. L. Baid Metha College of Pharmacy, Chennai.
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Abstract
A quantitative analysis of the structure activity relationship (QSAR) was performed on a data set of 48 compounds of substituted flavone derivatives as antiproliferative agents. The QSAR model is validated both internally and externally using statistical parameters. The developed QSAR model expressed by equation 3 was used to predict the biological activity (pIC50) of newly designed substituted flavone derivatives as antiproliferative agents against tyrosine Kinase. Among all designed compound, compound 3c has highest pIC50 value. The results were acceptable giving significance to model equation descriptors supporting QSAR studies. Thus, computer aided drug design is required to design new compounds before synthesis, thus reducing the cost by filtering the compounds. From the docking results, compounds 3c, 3f, 3i and 3m has maximum binding energy against tyrosine kinase (2SRC) receptor. compound 3c, 3f, 3i and 3m have been synthesized and characterized. Based on docking score and predicted pIC50 value, compound 3c may act as potential tyrosine kinase inhibitor. Further, cell line study was performed for compound 3c against MCF-7, which shows anti-proliferative activity at IC50 value 52.03μg/ml. The results of anticancer study explain that the synthesized compound 3c could serve as intermediate for the generating good biological agent.
| Item Type: | Thesis (Masters) |
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| Additional Information: | 261915008 |
| Uncontrolled Keywords: | Design, Docking, Synthesis, Pharmacological Evaluation, Novel Derivatives, Anticancer Agent. |
| Subjects: | PHARMACY > Pharmaceutical Chemistry |
| Depositing User: | Subramani R |
| Date Deposited: | 02 Nov 2022 17:08 |
| Last Modified: | 02 Nov 2022 18:07 |
| URI: | http://repository-tnmgrmu.ac.in/id/eprint/20909 |
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