ABSTRACT

EGFR has been found to be expressed and altered in a variety of malignancies and clearly it plays a significant role in tumor development and progression, including cell proliferation, regulation of apoptotic cell death, angiogenesis and metastatic spread. A series of 4- substituted amino-5-Substituted-4H-1,2,4-triazole-3-thiol derivatives were designed for molecular modelling studies. Molecular docking study was performed to check the receptor and ligand interaction or binding affinity by using the receptor 1M17. Some of designed molecules were found to have binding affinity comparable with the cocrystalized ligand AQ4. Molecules with good binding affinity were synthesized and confirmed for their structure by IR, NMR and Mass. Keywords: Epidermal growth factor, Receptor tyrosine kinase, Cancer therapy, docking
Publication date: 01/11/2021

https://ijbpas.com/pdf/2021/November/MS_IJBPAS_2021_5687.pdf

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https://doi.org/10.31032/IJBPAS/2021/10.11.5687