Компьютерный анализ взаимосвязи структура – ​​активность для иммуноактивных производных тиазоло [3,2- a ] бензимидазола

Дианов, В.М.; Алехин, Е.К.; Тюрина, Л.А.; Александрова, Е.Л.; Dianov, V.M.; Alekhin, E.K.; Tyurina, L.A.; Aleksandrova, E.L.

Компьютерный анализ взаимосвязи структура – активность для иммуноактивных производных тиазоло [3,2- a ] бензимидазола

Дианов, В.М., Алехин, Е.К., Тюрина, Л.А.

Дата публикации: 2018

DOI: 10.1007/s11094-018-1814-5

Издатель: Springer New York LLC

Тип: Article

COMPUTER ANALYSIS OF THE STRUCTURE-ACTIVITY RELATIONSHIP FOR IMMUNOACTIVE THIAZOLO[3,2-a] BENZIMIDAZOLE DERIVATIVES

Александрова, Е.Л., Dianov, V.M., Alekhin, E.K., Tyurina, L.A., Aleksandrova, E.L.

Publication date: 2018

DOI: 10.1007/s11094-018-1814-5

Abstract:

Computer analysis of the structure–activity relationship and purposeful design of effective immunomodulators among thiazolo[3,2-a]benzimidazole derivatives was performed. A mathematical recognition model was formulated. Immunomodulating activity of condensed azoles was predicted (80 – 100% learning recognition). Potentially active structures were generated. Their activities were predicted. Theoretical and experimental results agreed. The tested thiazolo[3,2-a]benzimidazole derivatives exhibited the predicted activities. © 2018, Springer Science+Business Media, LLC, part of Springer Nature.

Keywords:
computer system SARD, immunomodulating activity, structure–activity relationship, thiazolobenzimidazoles, Scopus, Web of Science

Издатель: Springer New York LLC

Тип: Article