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

^*Corresponding author for this work

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

Research output: Contribution to journal › Article › peer-review

31 Scopus citations

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.

Original language	English
Pages (from-to)	1365-1370
Number of pages	6
Journal	Bioorganic and Medicinal Chemistry Letters
Volume	22
Issue number	3
DOIs	https://doi.org/10.1016/j.bmcl.2011.12.067
State	Published - 1 Feb 2012
Externally published	Yes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 3 Good Health and Well-being

Keywords

Dual-effective inhibitors
EGFR
Kinase inhibitors
Selective inhibitors
T790M/L858R
Virtual screening

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10.1016/j.bmcl.2011.12.067

Cite this

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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",

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

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volume = "22",

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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

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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

Abstract

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Keywords

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