UDK: 615.015.11:615.015.42

IN SILICO PREDICTION OF PHARMACOLOGICAL ACTIVITY, ACUTE TOXICITY AND BIOAVAILABILITY OF 4H,4'H-[2,3'-BICHROMENE]-4,4'-DIONE DERIVATIVES

S.S. Shatokhin, E.T. Oganesyan

Пятигорский медико-фармацевтический институт – филиал ФГБОУ ВО «Волгоградский государственный медицинский университет» Минздрава России, г. Пятигорск, кафедра органической химии

Abstract

The search for new biologically active compounds in the series of benz-γ-pyrone derivatives is an actualproblem for modern medicinal chemistry, which is associated with a wide range of pharmacological properties inherent in the core and their low toxicity due to their wide distribution in nature. In order to assess the prospects for the synthesis of new 4H,4'H-[2,3'-bischromene]-4,4'-dione derivatives, a virtual series of compounds have been formed, and the probable spectrum of pharmacological activity, acutetoxicity and bioavailability have been assessed in silico using online services.It have been shown that the analyzed compounds can exhibit a wide spectrum of pharmacological activity, are low-toxic and characterized by high oral bioavailability.It confirms the expediency of their synthesis and further study.

Keywords

chromone, in silico, bioavailability, biological activity, acute toxicity.

Contacts

Шатохин Станислав Сергеевич – аспирант кафедры органической химии, Пятигорский медико-фармацевтический институт – филиал ФГБОУ ВО ВолгГМУ Минздрава России, e-mail: shatohin.stanislav95@yandex.ru