In Silico Prediction of Anticonvulsant Activity of N-(2,2,2-Trichloro-1-hydroxyethyl)alkenyl- and –alkylarylcarboxamides

In this paper, we have predicted the spectrum of the biological activity of N-(2,2,2-trichloro-1-hydroxyethyl)alkenyl- and -alkylarylcarboxamides using the PASS system, as well as their prospects as potential anticonvulsants. The probability of anticonvulsant activity has been shown to be considerably higher for -alkylarylcarboxamides than for -alkenylcarboxamides. For the structures analyzed, an acute toxicity assessment has been carried out in rats using the GUSAR program. We have selected the compounds leaders with the probability of anticonvulsant activity of more than 80%. The structures of the compounds leaders have been tested for compliance with Lipinski criteria.