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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

2024Journal of Umm Al-Qura University for Applied Sciences15 citationsDOIOpen Access PDF

Topics & Concepts

ADMEDrugToxicityPharmacologyKinaseChemistryDOCKBioavailabilityCombinatorial chemistryStereochemistryBiochemistryBiologyOrganic chemistryComputational Drug Discovery MethodsCancer therapeutics and mechanismsQuinazolinone synthesis and applications
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 | Litcius