in silico prediction

ITRIAZENES ON THE BASIS OF 4-IMIDAZOLE SUBSTITUTED ANTRAQUINONE AS THE POTENTIAL INHIBITORS OF PROTEINS

The article by authors Shupeniuk V.I., Taras T.M., Sabadakh O.P., Bolibruch L.D., Zhurakhivska L.R. “Triazenes on the basis of 4-imidazole substituted antraquinone as the potential inhibitors of proteins” devoted to the study of the structure of triazenes on the basis of 4-imidazole substituted 9,10-anthraquinone, depending on the calculation of their probable effect on proteins using the DIGEP-Pred program.

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.

Computer prediction and verification of antioxidative activity of exo-functionalized derivatives of 9,10-antraquinone.

A computer-aided prediction of the pharmacological activity of a number of exo-functionalized derivatives of 9,10-anthraquinone with amino acid and thiazole fragments for the search of compounds with antioxidant effect using the program PASS of the web resource Way2Drug was carried out. The obtained results were analyzed for the probability of the mechanism of antioxidant action as a radical scavenger, antihypoxic, oxygen scavenger, radical formation agonist and catalase stimulator.