Antibacterial, Molecular Docking, DNA Binding and Photocleavage Studies on Novel Heterocyclic Pyrazoles
N. Sharath
Department of Studies and Research in Industrial Chemistry, School of Chemical Sciences, Kuvempu University, Shankaraghatta-577451, India.
Halehatty S. Bhojya Naik *
Department of Studies and Research in Industrial Chemistry, School of Chemical Sciences, Kuvempu University, Shankaraghatta-577451, India.
B. Vinay Kumar
Department of Studies and Research in Industrial Chemistry, School of Chemical Sciences, Kuvempu University, Shankaraghatta-577451, India.
Joy Hoskeri
Department of Studies and Research in Bio-informatics, School of Biological Sciences, Kuvempu University, Shankaraghatta-577451, India.
*Author to whom correspondence should be addressed.
Abstract
The antibacterial activity, in-silico DNA molecular docking, DNA binding and photocleavage studies of newly synthesized pyrazole is described. Antibacterial potential of these compounds screened against a wide range of Gram-positive and Gram-negative bacteria showed significant zone of inhibition and MIC with standard drug ciproflaxin is investigated. Among all the orientation of binding, fourth orientation showed significant binding and revealed that the binding and docking energy of 4a was -8.62 and -8.66 and inhibition constant 7.46 X e-6. The absorption spectra showed the dynamic interaction with CT DNA and as proficient DNA intercalator (Kb = 4.5×104 M-1). The viscosity measurements and thermal denaturation affords the positive results towards DNA intercalation in both the studies.. The light induced DNA damage was pragmatic in the absence of various ‘‘inhibitors’’ shows in photo cleavage activities at 360 nm.
Keywords: CT-DNA, intercalator, in-silico, molecular docking, photocleavage, pyrazole