Abstract
Epidermal growth factor receptor (EGFR) protein tyrosine kinases (PTKs) are known for their role in cancer. Lapatinib drug have been reported to be the molecules of interest, with potent anticancer activity and they act by binding to adenosine triphosphate (ATP) site of protein kinases. ATP binding site of protein kinases provides an extensive opportunity to design newer analogs. Here we aimed to do the molecular docking studies for the potent anti-cancer drugs iressa, tarceva and capsaicin against the breast cancer treatment. The estimated free energy of binding and inhibition constant are highly differed with each drugs compared to the current market available drugs and bioactive compounds. Our results strongly suggest that the bioactive compound capsaicin activity would be comparable with the commercially available cancer drug. Further study indicates that in silico method would be an important tool for the drug design and development against cancer. Key words: Epidermal growth factor receptor (EGFR), inhibitors, docking studies, protein tyrosine kinases (PTKs), breast cancer.
Highlights
The development of tyrosine kinase inhibitors has become an active area of research in pharmaceutical science
Our results strongly suggest that the bioactive compound capsaicin activity would be comparable with the commercially available cancer drug
Since the hyper activation of Epidermal growth factor receptor (EGFR) has been associated with these diseases, inhibitor of EGFR has potential therapeutic value and it has been extensively studied in the pharmaceutical industry
Summary
The development of tyrosine kinase inhibitors has become an active area of research in pharmaceutical science. Epidermal growth factor receptor (EGFR) that plays a vital role as a regulator of cell growth is one of the intensely studied tyrosine kinase targets of inhibitors (Carpenter and Cohen, 1990; Yarden and Sliwkowski, 2001; Cohen et al, 1982; Yarden and Schlessinger, 1982, 1987). EGFR is over expressed in numerous tumors, including those derived from brain, bladder, lungs, breast, colon, neck and head. EGFR hyper activation has been involved in other diseases including, psoriasis polycystic kidney disease and asthma (Albuschat et al, 2004; Bridges et al, 1996; Ma et al, 2005). Since the hyper activation of EGFR has been associated with these diseases, inhibitor of EGFR has potential therapeutic value and it has been extensively studied in the pharmaceutical industry. Confirm that the compounds designed would always possess good inhibitory activity to EGFR, while experimental assessments of inhibitory activity of these compounds are
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