Discovery of novel selective inhibitors for EGFR-T790M/L858R

Fang Bai; Hongyan Liu; Linjiang Tong; Wei Zhou; Li Liu; Zhenjiang Zhao; Xiaofeng Liu; Hualiang Jiang; Xicheng Wang; Hua Xie; Honglin Li

doi:10.1016/j.bmcl.2011.12.067

Discovery of novel selective inhibitors for EGFR-T790M/L858R

Fang Bai
, Hongyan Liu
, Linjiang Tong
, Wei Zhou
, Li Liu
, Zhenjiang Zhao
, Xiaofeng Liu
, Hualiang Jiang
, Xicheng Wang^*
, Hua Xie
, Honglin Li

^*此作品的通讯作者

Dalian University of Technology
CAS - Shanghai Institute of Materia Medica
East China University of Science and Technology

科研成果: 期刊稿件 › 文章 › 同行评审

31 引用（Scopus）

摘要

Through a receptor-based and ligand-based combined virtual screening protocol, 21 novel compounds covering 15 scaffolds were identified as novel inhibitors for EGFR-T790M/L858R, among which, 12 of them were identified as selective inhibitors for EGFR-T790M/L858R to wild-type EGFR, and 5 of them exhibited 'dual-effective' to wild-type and mutant EGFR. Meanwhile, their antiproliferative effects toward EGFR high-expressing human lung cancer cell (A549), epidermoid carcinoma cell (A431), and the mutant EGFR-dependent cell (NCI-H1975) were also evaluated.

源语言	英语
页（从-至）	1365-1370
页数	6
期刊	Bioorganic and Medicinal Chemistry Letters
卷	22
期	3
DOI	https://doi.org/10.1016/j.bmcl.2011.12.067
出版状态	已出版 - 1 2月 2012
已对外发布	是

联合国可持续发展目标

此成果有助于实现下列可持续发展目标：

可持续发展目标 3 良好健康与福祉

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10.1016/j.bmcl.2011.12.067

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引用此

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title = "Discovery of novel selective inhibitors for EGFR-T790M/L858R",

abstract = "Through a receptor-based and ligand-based combined virtual screening protocol, 21 novel compounds covering 15 scaffolds were identified as novel inhibitors for EGFR-T790M/L858R, among which, 12 of them were identified as selective inhibitors for EGFR-T790M/L858R to wild-type EGFR, and 5 of them exhibited 'dual-effective' to wild-type and mutant EGFR. Meanwhile, their antiproliferative effects toward EGFR high-expressing human lung cancer cell (A549), epidermoid carcinoma cell (A431), and the mutant EGFR-dependent cell (NCI-H1975) were also evaluated.",

keywords = "Dual-effective inhibitors, EGFR, Kinase inhibitors, Selective inhibitors, T790M/L858R, Virtual screening",

author = "Fang Bai and Hongyan Liu and Linjiang Tong and Wei Zhou and Li Liu and Zhenjiang Zhao and Xiaofeng Liu and Hualiang Jiang and Xicheng Wang and Hua Xie and Honglin Li",

year = "2012",

month = feb,

day = "1",

doi = "10.1016/j.bmcl.2011.12.067",

language = "英语",

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pages = "1365--1370",

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TY - JOUR

T1 - Discovery of novel selective inhibitors for EGFR-T790M/L858R

AU - Bai, Fang

AU - Liu, Hongyan

AU - Tong, Linjiang

AU - Zhou, Wei

AU - Liu, Li

AU - Zhao, Zhenjiang

AU - Liu, Xiaofeng

AU - Jiang, Hualiang

AU - Wang, Xicheng

AU - Xie, Hua

AU - Li, Honglin

PY - 2012/2/1

Y1 - 2012/2/1

N2 - Through a receptor-based and ligand-based combined virtual screening protocol, 21 novel compounds covering 15 scaffolds were identified as novel inhibitors for EGFR-T790M/L858R, among which, 12 of them were identified as selective inhibitors for EGFR-T790M/L858R to wild-type EGFR, and 5 of them exhibited 'dual-effective' to wild-type and mutant EGFR. Meanwhile, their antiproliferative effects toward EGFR high-expressing human lung cancer cell (A549), epidermoid carcinoma cell (A431), and the mutant EGFR-dependent cell (NCI-H1975) were also evaluated.

AB - Through a receptor-based and ligand-based combined virtual screening protocol, 21 novel compounds covering 15 scaffolds were identified as novel inhibitors for EGFR-T790M/L858R, among which, 12 of them were identified as selective inhibitors for EGFR-T790M/L858R to wild-type EGFR, and 5 of them exhibited 'dual-effective' to wild-type and mutant EGFR. Meanwhile, their antiproliferative effects toward EGFR high-expressing human lung cancer cell (A549), epidermoid carcinoma cell (A431), and the mutant EGFR-dependent cell (NCI-H1975) were also evaluated.

KW - Dual-effective inhibitors

KW - EGFR

KW - Kinase inhibitors

KW - Selective inhibitors

KW - T790M/L858R

KW - Virtual screening

UR - https://www.scopus.com/pages/publications/84856213777

U2 - 10.1016/j.bmcl.2011.12.067

DO - 10.1016/j.bmcl.2011.12.067

M3 - 文章

C2 - 22227214

AN - SCOPUS:84856213777

SN - 0960-894X

VL - 22

SP - 1365

EP - 1370

JO - Bioorganic and Medicinal Chemistry Letters

JF - Bioorganic and Medicinal Chemistry Letters

IS - 3

ER -

Discovery of novel selective inhibitors for EGFR-T790M/L858R

摘要

联合国可持续发展目标

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