Evaluation of the anticancer activities with various ligand substituents in Co(<scp>ii</scp>/<scp>iii</scp>)-picolyl phenolate derivatives: synthesis, characterization, DFT, DNA cleavage, and molecular docking studies
Abhimanyu Jana, Abhishek Aher, Paula Brandão, Pradip Bera, Pradip Bera, Saphy Sharda, Ujjwal Phadikar, Sunil K. Manna, Ajit Kumar Mahapatra, Pulakesh Bera, Pulakesh Bera
Abstract
) is the major species involved in DNA cleavage. The absolute chemical hardness values of the ligands and 4 are relatively higher than 1, 2, and 3, which tacitly support the DNA cleavage experiment. The docking result indicates that the compounds under investigation strongly interact with DNA base pairs through a variety of interactions which attests successfully to the experimental results. A structure-activity relationship has been drawn to correlate the variation of antitumor activity with ligand conformations.
Topics & Concepts
ChemistryCobaltLigand (biochemistry)StereochemistryDocking (animal)ReceptorBiochemistryOrganic chemistryNursingMedicineMetal complexes synthesis and propertiesSynthesis and Characterization of Heterocyclic CompoundsClick Chemistry and Applications