In silico prediction of anticonvulsant activity of N-(2,2,2-trichloro-1-hydroxyethyl) alkylcarboxamides


Article PDF :

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Article type :

Original Article

Author :

Pavlo V. Zadorozhnii, Vadym V. Kiselev, Ihor O. Pokotylo, Oxana V. Okhtina, Aleksandr V. Kharchenko

Volume :

10

Issue :

3

Abstract :

With the use of the computer program PASS, we have predicted the anticonvulsant activity of chloral carboxamides - products of chloral condensation with carboxylic acid amides. All connections, which structures analysis being carried out, were obtained earlier, and the structures were taken from the SciFinder database. The analysis of acute toxicity in rats has been carried out at intravenous and oral routes of administration using the program GUSAR. Calculated LD50 values have been given for all structures. We have selected compounds leaders tested for compliance with Lipinski criteria.

Keyword :

PASS, GUSAR, Anticonvulsant, Toxic, LD50, Chloral carboxamide
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