Prediction of activity of low-molecular inhibitors of the classic complement pathway using computational screening approach

Using the molecular docking we estimated the free energy of binding of low-molecular ligands with the first component of complement protein C1q. The theoretically predicted values of IC50 allow selecting ligands with the highest inhibitory potential for further in vitro experiments

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Hlavní autoři: D. M. Karlinsky, A. P. Kaplun, M. E. Popov
Médium: Artigo
Jazyk:Russo
Vydáno: MIREA - Russian Technological University 2009-06-01
Edice:Тонкие химические технологии
Témata:
c1q, igg, низкомолекулярные ингибиторы, компьютерная модель, молекулярный докинг, скрининг
On-line přístup:https://www.finechem-mirea.ru/jour/article/view/1398
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