Five and six membered heterocyclic rings endowed with azobenzene as dual EGFR<sup>T790M</sup> and VEGFR-2 inhibitors: design, synthesis, <i>in silico</i> ADMET profile, molecular docking, dynamic simulation and anticancer evaluations
Kurls E. Anwer, Sanadelaslam S. A. El‐Hddad, Nour E. A. Abd El‐Sattar, Ahmed El-morsy, Fathalla Khedr, Samy Mohamady, Doaa E. Keshek, Samir A. Salama, Khaled El‐Adl, Noura S. Hanafy
Abstract
= 0.25, 0.35, 0.40 and 0.50 μM respectively. Furthermore, the ADMET profile was evaluated for compounds 5, 6, 10 and 14 in contrast to reference drugs sorafenib and erlotinib.
Topics & Concepts
AzobenzeneIsoxazolePyrazoleChemistryTriazineDocking (animal)Combinatorial chemistryIn silicoAromatizationTriazoleRing (chemistry)Molecular dynamicsStereochemistryMoleculeComputational chemistryOrganic chemistryBiochemistryMedicineNursingGeneCatalysisSynthesis and biological activityClick Chemistry and ApplicationsSynthesis and Characterization of Heterocyclic Compounds