In Silico Identification of Novel Erlotinib Analogues Against Epidermal Growth Factor Receptor

被引：3
作者：
Sheikh, Ishfaq A. [1 ]
Hassan, Hani Mutlak A. [1 ]
机构：
[1] King Abdulaziz Univ, King Fahd Med Res Ctr, POB 80216, Jeddah 21589, Saudi Arabia
来源：
ANTICANCER RESEARCH | 2016年 / 36卷 / 11期
关键词：
Erlotinib analogues; EGFR; docking; TYROSINE KINASE INHIBITORS; EGFR;
D O I：
10.21873/anticanres.11203
中图分类号：
R73 [肿瘤学];
学科分类号：
100214 ;
摘要：
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.
引用
收藏
页码：6125 / 6132
页数：8
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共 12 条
  • [1] Discovery of boron-conjugated 4-anilinoquinazoline as a prolonged inhibitor of EGFR tyrosine kinase
    Ban, Hyun Seung
    Usui, Taikou
    Nabeyama, Wataru
    Morita, Hidetoshi
    Fukuzawa, Kaori
    Nakamura, Hiroyuki
    [J]. ORGANIC & BIOMOLECULAR CHEMISTRY, 2009, 7 (21) : 4415 - 4427
  • [2] [4-(6,7-Disubstituted quinazolin-4-ylamino)phenyl] carbamic acid esters: a novel series of dual EGFR/VEGFR-2 tyrosine kinase inhibitors
    Garofalo, Antonio
    Goossens, Laurence
    Lemoine, Amelie
    Ravez, Severine
    Six, Perdue
    Howsam, Michael
    Farce, Amaury
    Depreux, Patrick
    [J]. MEDCHEMCOMM, 2011, 2 (01) : 65 - 72
  • [3] ERBB receptors and cancer: The complexity of targeted inhibitors
    Hynes, NE
    Lane, HA
    [J]. NATURE REVIEWS CANCER, 2005, 5 (05) : 341 - 354
  • [4] Synthesis and inhibitory activity of 4-alkynyl and 4-alkenylquinazolines: Identification of new scaffolds for potent EGFR tyrosine kinase inhibitors
    Kitano, Yasunori
    Suzuki, Tsuyoshi
    Kawahara, Eiji
    Yamazaki, Takahisa
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2007, 17 (21) : 5863 - 5867
  • [5] Discovery of 6-substituted 4-anilinoquinazolines with dioxygenated rings as novel EGFR tyrosine kinase inhibitors
    Li, Dong-Dong
    Fang, Fei
    Li, Jing-Ran
    Du, Qian-Ru
    Sun, Jian
    Gong, Hai-Bin
    Zhu, Hai-Liang
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2012, 22 (18) : 5870 - 5875
  • [6] Novel oxazolo[4,5-g]quinazolin-2(1H)-ones: Dual inhibitors of EGFR and Src protein tyrosine kinases
    Lin, Jinsheng
    Shen, Wei
    Xue, Jingwei
    Sun, Juan
    Zhang, Xue
    Zhang, Can
    [J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2012, 55 : 39 - 48
  • [7] Synthesis, characterization, screening and docking analysis of 4-anilinoquinazoline derivatives as tyrosine kinase inhibitors
    Lu, Shuang
    Zheng, Wei
    Ji, Liyun
    Luo, Qun
    Hao, Xiang
    Li, Xianchan
    Wang, Fuyi
    [J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2013, 61 : 84 - 94
  • [8] Synthesis and Biological Evaluation of 4-Anilinoquinolines as Potent Inhibitors of Epidermal Growth Factor Receptor
    Pawar, Vijaykumar G.
    Sos, Martin L.
    Rode, Haridas B.
    Rabiller, Matthias
    Heynck, Stefanie
    van Otterlo, Willem A. L.
    Thomas, Roman K.
    Rauh, Daniel
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 2010, 53 (07) : 2892 - 2901
  • [9] Cell Signaling by Receptor Tyrosine Kinases
    Lemmon, Mark A.
    Schlessinger, Joseph
    [J]. CELL, 2010, 141 (07) : 1117 - 1134
  • [10] Stereoselectivity and the potential endocrine disrupting activity of di-(2-ethylhexyl)phthalate (DEHP) against human progesterone receptor: a computational perspective
    Sheikh, Ishfaq Ahmad
    [J]. JOURNAL OF APPLIED TOXICOLOGY, 2016, 36 (05) : 741 - 747
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