Synthesis, biological evaluation and <i>in silico</i> investigations of benzotriazole derivatives as potential inhibitors of NIMA related kinase
Tahir Qadri, Mubashir Aziz, Pervaiz Ali Channar, Syeda Abida Ejaz, Mumtaz Hussain, Hafiz Muhammad Attaullah, Rabail Ujan, Zahid Hussain, Tasneem Zehra, Aamer Saeed, Muhammad Raza Shah, Hanan A. Ogaly, Fatimah A. M. Al‐Zahrani
Abstract
Newly Synthesized bis(3-(2 H -benzo[ d ][1,2,3]triazol-2-yl)-2-(prop-2-yn-1-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl)methane (TAJ1) as potential anti-cancer agent and highly selective NEK-7 inhibitor.
Topics & Concepts
HOMO/LUMOChemistryReactivity (psychology)HeLaDensity functional theoryDocking (animal)Molecular orbitalMoleculeCarbon-13 NMRStereochemistryCrystallographyComputational chemistryIn vitroOrganic chemistryNursingMedicineBiochemistryPathologyAlternative medicineSynthesis and Biological EvaluationBioactive Compounds and Antitumor AgentsSynthesis and Characterization of Heterocyclic Compounds