Investigation on Photophysical, Solvatochromism and Biological Significance of Substituted 2H‐Indazole Derivatives

The electronic properties of substituted 2H‐indazoles were investigated for their photophysical behavior under isolated conditions and in solvent environment, both computationally and experimentally. DFT calculations with CAM−B3LYP functional and 6–311++G** basis set were performed in the ground and excited states. The effect of solvents on the low and high energy electronic states was studied by following the steady state absorption and fluorescence excitation and emission spectra. Solvatochromic interactions including general and specific solvent effects are reported along with the results of Lippert and ET(30) plots. The biological significance of these 2H‐indazole derivatives was also investigated through docking studies. The interactions of 2H‐indazole derivatives with the active site of subdomain II of human casein kinase (C2 K) alpha are reported. The photophysical and electronic properties of 2H‐Indazoles were investigated by following the solvatochromism and computational density functional calculations in the ground and excited states respectively. The potential applications of 2H‐Indazole derivatives as environment sensing probes have been investigated. The biological significance these derivatives, shed light on the potent inhibiting capability towards human casein kinase CK2alpha.