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

Bibliographic Details
Main Authors: D. M. Karlinsky, A. P. Kaplun, M. E. Popov
Format: Article
Language:Russian
Published: MIREA - Russian Technological University 2009-06-01
Series:Тонкие химические технологии
Subjects:
Online Access:https://www.finechem-mirea.ru/jour/article/view/1398