UDK: 615.015.11:615.015.42

In silico prediction of pharmacological activity, acute toxicity and bioavailability of (E)-3-(3-(4-OXO-4H-chromen-3-YL)acryloyl)-2H- chromen-2-one derivatives

S. S. Shatokhin, E. T. Oganesyan

Пятигорский медико-фармацевтический институт – филиал Волгоградского государственного медицинского университета, кафедра органической химии, Россия

Abstract

Based on the available literature data a number of virtual structures of (E)-3-(3-(4-oxo-4H-chromen-3-yl)acryloyl)-2H-chromen-2-one derivatives have been formed, and the probable spectrum of pharmacological activity, acute toxicity, and bioavailability have been assessed in sili cousing 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

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