Candidate drug molecule-DNA interaction and molecular modelling of candidate drug molecule

Aim: 1,4-dihydropyridine derivative, 1-(3-phenyl propyl)-4-(2-(2-hydroxybenzylidene) hydrazone)-1,4-dihydropyridine (abbreviated as DHP) was synthesized potential agent for Alzheimer’s disease which is a progressive neurodegenerative brain disorder affecting millions of elderly people. With this study, the electrochemical properties DHP were investigated and its interaction with DNA analyzed by differential pulse voltammetry (DPV) cyclic (CV) measurements. In addition, study aims to determine degradation mechanism molecule Density-functional theory (DFT) in gas aqueous phase. Material Method: Experimental conditions such immobilization time, effect scan rate, concentration, pH optimized. The method validated according validation parameters range, precision, linearity, limit detection (LOD), quantitation (LOQ) inter/intraday. Results: Linearity calibration curve DPV calculated range 10-100 µg/mL. LOD LOQ values 3 10 µg/mL intra-day inter-day repeatability (RSD %) 1.85 3.64 µg/mL, respectively. After DHP-DNA interaction, oxidation currents guanine decreased proof interaction. activation energy most possible path reaction calculated, their thermodynamically stable state determined Conclusion: We developed improve sensitive, fast easy process determination between DNA.