Sheikh Ishfaq A, Hassan Hani Mutlak A
King Fahd Medical Research Center, King Abdulaziz University, Jeddah, Kingdom of Saudi Arabia.
King Fahd Medical Research Center, King Abdulaziz University, Jeddah, Kingdom of Saudi Arabia
Anticancer Res. 2016 Nov;36(11):6125-6132. doi: 10.21873/anticanres.11203.
Cancer is one of the major health challenges in modern times. Considering its high mortality rate, many proteins that are linked to cancer have been targeted for therapy, with one of them being the epidermal growth factor receptor (EGFR). A drug that is currently in the market for the treatment of non-small cell lung cancer and targets EGFR is erlotinib. In a quest for improved efficacy of erlotinib, herein we report molecular docking studies of thirteen erlotinib analogues by modification of the alkyne and anilino groups, all of which displayed better binding affinity than erlotinib. We identified aziridinyl analogue (S)- 13B: with the best binding energy of all the analogues studied.
癌症是现代社会主要的健康挑战之一。鉴于其高死亡率，许多与癌症相关的蛋白质已成为治疗靶点，其中之一就是表皮生长因子受体（EGFR）。目前市场上用于治疗非小细胞肺癌且靶向EGFR的一种药物是厄洛替尼。为了提高厄洛替尼的疗效，我们在此报告了通过修饰炔基和苯胺基对13种厄洛替尼类似物进行的分子对接研究，所有这些类似物的结合亲和力均优于厄洛替尼。我们确定氮丙啶类似物（S）-13B：在所研究的所有类似物中具有最佳结合能。
