Quantitative Structure-Activity Relationship and Molecular Docking Studies of Hydroxamic Acid Derivatives as Novel Class Inhibitors Against Helicobacter Pylori Urease
Abstract:In order to develop quantitative structure-activity relationship (QSAR), for predicting antiulcer activity of hydroxamic acid analogues use as dataset and their antiulcer activity were obtained from the literature. Density Functional Theory (DFT) using B3LYP/6-31G* quantum chemical calculation method was used to find the optimized geometry of the studied compounds. Eight types of molecular descriptors were used to find out the relation between antipeptic ulcer (APU) activity and structural properties. Relevant… Show more
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