The consensus prediction in silico of carcinogenic risk of multi-target RAGE inhibitors
Автор: Vassiliev P.M., Spasov A.A., Kochetkov A.N., Babkov D.A., Litvinov R.A.
Журнал: Волгоградский научно-медицинский журнал @bulletin-volgmed
Статья в выпуске: 1 (65), 2020 года.
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The virtual screening of RAGE inhibitory activity for 87 novel synthesized compounds of 10 structurally different chemical classes using neural network model on base of docking was carried out. According prediction, 26 potential active structures were found. By means of IT Microcosm system and on-line resources admetSAR and ProTox, the consensus estimation in silico of carcinogenic risk for 10 most prospective structures were performed. It was shown that all predicted compounds are not carcinogens.
Мультитаргетные rage-ингибиторы, in silico, multi-target rage inhibitors, consensus prediction, carcinogenic risk, diabetes mellitus, alzheimer's disease
Короткий адрес: https://sciup.org/142225945
IDR: 142225945
