Discovery of new 2,4-diaminopyrimidines derivatives as EGFRT790M kinase inhibitors: a structure-based approach with DFT calculation, drug-likeness, ADME-toxicity properties evaluation and MD simulation

Muhammad Tukur Ibrahim,Kamal Tabti, Safiya Abdulsalam, Abdulsalam Salisu Tahir, Abdulhamid Mahmoud, Aisha Muhammad Danmallam

Journal of Umm Al-Qura University for Applied Sciences（2024）

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摘要

Cancer of the lung is known to be the principal cause of tumour-linked mortality worldwide. Non-small cell lung cancer (NSCLC) is the most common and lethal type of lung cancer with close to 2.0 million reported cases and a survival rate of not less than 20

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关键词

Chemoinformatic,DFT,Pharmacokinetic,EGFRT790M kinase

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