Abstract:In this work molecular dynamics theory was applied to simulate the interaction of nicotine-related alkaloids with a human segment of deoxyribonucleic acid (DNA). The left molecular docking technique, we observe which of the studied molecules have higher toxicological potential and DNA bases which are more sensitive to the presence of these molecules. The molecules interacting with DNA were nicotine, nornicotine, anabasine, nicotinic acid, nicotinamide and trigonelline. The interaction of DNA with water was sim… Show more
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