Anticancer activity, DNA binding and docking study of M(<scp>ii</scp>)-complexes (M = Zn, Cu and Ni) derived from a new pyrazine–thiazole ligand: synthesis, structure and DFT
Pradip Bera, Pradip Bera, Abhishek Aher, Paula Brandão, Sunil K. Manna, Indranil Bhattacharyya, Gopinath Mondal, Abhimanyu Jana, Ananyakumari Santra, Pulakesh Bera, Pulakesh Bera
Abstract
A series of structurally related Zn(<sc>ii</sc>), Cu(<sc>ii</sc>) and Ni(<sc>ii</sc>) complexes of 4-(2-(2-(1-(pyrazin-2-yl)ethylidene)hydrazinyl)-thiazol-4-yl)-benzonitrile (<bold>PyztbH</bold>) have been synthesized and characterized by spectroscopy, single crystal X-ray crystallography and density functional theory (DFT).
Topics & Concepts
ChemistryBenzonitrileThiazolePyrazineDensity functional theoryCrystallographyCrystal structureSingle crystalStereochemistryDocking (animal)Ligand (biochemistry)Medicinal chemistryReceptorComputational chemistryBiochemistryNursingMedicineMetal complexes synthesis and propertiesSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds