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

Authors : Ayça KARASAKAL, Yelda YALÇIN GÜRKAN, Sülünay PARLAR

Pages : 1547-1555

Doi:10.32322/jhsm.1117781

View : 45 | Download : 13

Publication Date : 2022-10-25

Article Type : Research Paper

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

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