जर्नल ऑफ़ प्रोटियोमिक्स और बायोइनफार्मेटिक्स

जर्नल ऑफ़ प्रोटियोमिक्स और बायोइनफार्मेटिक्स
खुला एक्सेस

आईएसएसएन: 0974-276X

अमूर्त

In-silico Interaction Studies of Quinazoline Derivatives for their Inhibitory Action on Both Wild and Mutant EGFRs

Kaushik S. Hatti, V. Chandregowda, G.Venkateswara Rao, Anil Kush and G.Chandrasekara Reddy

Epidermal growth factor receptor (EGFR) family has gained importance as a target for cancer therapy. However, somatic mutations in the tyrosine kinase domain of EGFR alter its sensitivity to anti-EGFR tyrosine kinase (TK) drugs like gefitinib (IressaTM). Docking studies of a few newly synthesized 6, 7-dialkoxy-4-anilinoquinazoline derivatives which showed EGFR-TK inhibitory activity were conducted. It has been found that the docking energies of these novel quniazolines are comparable with the IC50 values against A431 and MCF-7 tumor cell lines. Though the compounds with benzoxazole (1 & 2) and imidazole side chain (4) exhibited low binding energy to wild-type, but compound 3 had the lowest binding energy to its mutants as well (T790M, L858R and double-mutant). Compounds 1, 2, 4 and gefitinib showed affinity only for selective EGFR variants.

अस्वीकरण: इस सार का अनुवाद कृत्रिम बुद्धिमत्ता उपकरणों का उपयोग करके किया गया था और अभी तक इसकी समीक्षा या सत्यापन नहीं किया गया है।
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