molecular docking

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

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.

COMPUTER-AIDED PREDICTION IN SEARCH OF NEW ANTIPLATELET AGENTS WITH ANTIOXIDANT EFFECT AMONG SULFUR-CONTAINING DERIVATIVES OF 9,10-ANTHRAQUINONONE

The diseases of cardiovascular system and oncology are share the first place among all diseases, both in Ukraine and in the world. The problem of arterial thrombosis is one of the important factors that determine the outcome of the diseases.