SEARCHING OF BIOLOGICAL ACTIVITY OF S-ESTERS 4-ACETYLAMINOBENZENETHIOSULFOACID USING METHODS OF CHEMOINFORMATICS

N. A. Kopak
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Abstract

The biological activity screening of thiosulfonoesters was carried out using the SuperPred, SwissTargetPrediction, and molecular docking programs. Based on the obtained data from virtual screening, promising directions for experimental biological investigations of S-esters 4- acetylaminobenzenethiosulfoacid were identified. Molecular docking demonstrated the feasibility of searching for new antiviral agents among the investigated thiosulfonoesters and selected a lead compound for these studies, namely thiosulfonoesters.
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利用化学信息学方法研究 4-乙酰氨基苯硫代磺酸 s-酯的生物活性
利用 SuperPred、SwissTargetPrediction 和分子对接程序对硫代磺酸酯进行了生物活性筛选。根据虚拟筛选获得的数据,确定了 4-乙酰氨基苯硫代磺酸 S-酯类化合物有希望的生物学实验研究方向。分子对接证明了在所研究的硫代磺酸酯中寻找新的抗病毒药物的可行性,并为这些研究选择了一个先导化合物,即硫代磺酸酯。
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SEARCHING OF BIOLOGICAL ACTIVITY OF S-ESTERS 4-ACETYLAMINOBENZENETHIOSULFOACID USING METHODS OF CHEMOINFORMATICS EPOXIDATION OF 1-OCTENE BY TERT-BUTYL HYDROPEROXIDE IN THE PRESENCE OF TITANIUM COMPOUNDS KINETICS OF DRYING OF MATCH SPLINTS HYDROGEL MEMBRANES BASED ON COPOLYMERS OF 2-HYDROXYETHYL METHACRYLATE WITH POLYVINYLPYRROLIDONE, MODIFIED WITH MONTMORILLONITE AND SILVER NANOPARTICLES ACOUSTIC CAVITATION NUMBER AND ITS EFFECT ON THE INTENSITY OF OXIDATIVE DEGRADATION OF CONGO RED DIAZO DYE
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