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
Topics & Concepts
ADMEDrugToxicityPharmacologyKinaseChemistryDOCKBioavailabilityCombinatorial chemistryStereochemistryBiochemistryBiologyOrganic chemistryComputational Drug Discovery MethodsCancer therapeutics and mechanismsQuinazolinone synthesis and applications