What is it about?

It is basically molecular modeling that is optimization of molecules using statistics. Once optimized the molecules are interacted vitually with enzyme they will inhibit (simulation analysis and docking).The compounds are then filtered on the basis of their orientation with the enzyme epidermalgrowth factor receptor . The compounds with best orientation are selected and further synthesized and evaluated for anticancer activity.

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Why is it important?

Molecular modeling helpsatly gre in saving money required to purchase costly chemicals as it predicts the pharmacological activity of derivatives even before they are synthesized. Docking studies help to analyze interactions of derivatives with receptor/enzyme and filtering those derivatives that have favourable orientation with enzyme/receptors. Due to this process potent derivatives can be synthesized. In this project we have tried to synthesize epidermal growth factor inhibitors which are target specific and can serve as monotherapy in the near future. The future propspectives of this monotherapy are promising.

Perspectives

Currrent theapies in treatment of neoplasm produce a variety of adverse effects. Target soecific drug delivery is the only way by which these side effects can be reduced. It has been found that epidermal growth factor receptor (EGFR) is over-expressed in tumour. Literature suggests that if EGFR is inhibited the size of tumour especially in neck cancer, colon cancer can be reduced. Thus this research is suggestive that epidermal growth factor receptor inhibitors can serve as monotherapy in the near future with fewer side effects.

Sunayana Ghodgaonkar

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This page is a summary of: 2D, 3D, G-QSAR and Docking Studies of Thiazolyl-pyrazoline Analogues as Potent (Epidermal Growth Factor Receptor-tyrosine Kinase) EGFR-TK Inhibitors, Letters in Drug Design & Discovery, October 2017, Bentham Science Publishers,
DOI: 10.2174/1570180814666170518171236.
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