In silico design of EGFRL858R/T790M/C797S inhibitors via 3D-QSAR, molecular docking, ADMET properties and molecular dynamics simulations

The development of L858R/T790M/C797S mutations in EGFR is one of the main reasons for the emergence of resistance after third-generation treatment of non-small cell lung cancer (NSCLC). Therefore, the development of 4th generation drugs needs urgent attention. To overcome resistance, in silico drug...

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Bibliographic Details
Main Authors: Hanine Hadni, Menana Elhallaouia
Format: Article
Language:English
Published: Elsevier 2022-11-01
Series:Heliyon
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844022028250