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Research Journal of Pharmacy and Technology
Year : 2018, Volume : 11, Issue : 2
First page : ( 711) Last page : ( 716)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2018.00134.8

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

Zadorozhnii Pavlo V.*, Popykhach Nina P., Kiselev Vadym V., Pokotylo Ihor O., Okhtina Oxana V., Kharchenko Aleksandr V.

Department of Organic Substances and Pharmaceutical Preparations, Ukrainian State University of Chemical Technology, Gagarin Ave., 8, Dnipro, 49005, Ukraine

*Corresponding Author E-mail: torfp@i.ua

Online published on 12 June, 2018.


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.



PASS, GUSAR, Anticonvulsant, Toxic, LD50, Chloralcarboxamide, QSAR.


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