Серин-треониновые протеинкиназы
Разработка ингибиторов серин-треониновых протеинкиназ человека и Mycobacterium tuberculosis как перспективных средств для лечения заболеваний различной природы, от диабета II типа до болезни Альцгеймера
Протеинкиназы – ключевые ферменты во множестве терапевтически значимых сигнальных путей. Их ингибирование – перспективная стратегия борьбы с заболеваниями различной природы, от диабета II типа до болезни Альцгеймера.
Нами разработаны АТФ-конкурентные ингибиторы GSK-3 человека и PknB Mycobacterium tuberculosis, идёт подготовка к доклиническим исследованиям.
Публикации
- D. I. Osolodkin, V. A. Palyulin, and N. S. Zefirov. Glycogen synthase kinase 3 as an anticancer drug target: Novel experimental findings and trends in the design of inhibitors. Current Pharmaceutical Design, 19(4):665–679, 2013.
- N. V. Zakharevich, D. I. Osolodkin, I. I. Artamonova, V. A. Palyulin, N. S. Zefirov, and V. N. Danilenko. Signatures of the ATP-binding pocket as a basis for structural classification of the serine/threonine protein kinases of Gram-positive bacteria. Proteins: Structure, Function and Bioinformatics, 80(5):1363–1376, 2012.
- V. N. Danilenko, D. I. Osolodkin, S. A. Lakatosh, M. N. Preobrazhenskaya, and A. A. Shtil. Bacterial eukaryotic type serine-threonine protein kinases: From structural biology to targeted anti-infective drug design. Current Topics in Medicinal Chemistry, 11(11):1352–1369, 2011.
- D. I. Osolodkin, N. V. Zakharevich, V. A. Palyulin, V. N. Danilenko, and N. S. Zefirov. Bioinformatic analysis of glycogen synthase kinase 3: human versus parasite kinases. Parasitology, 138(6):725–735, 2011.
- P. V. Karpov, D. I. Osolodkin, I. I. Baskin, V. A. Palyulin, and N. S. Zefirov. One-class classification as a novel method of ligand-based virtual screening: The case of glycogen synthase kinase 3β inhibitors. Bioorganic and Medicinal Chemistry Letters, 21(22):6728–6731, 2011.
- D. I. Osolodkin, V. A. Palyulin, and N. S. Zefirov. Structure-based virtual screening of glycogen synthase kinase 3β inhibitors: Analysis of scoring functions applied to large true actives and decoy sets. Chemical Biology and Drug Design, 78(3):378–390, 2011.
- D. A. Tsareva, D. I. Osolodkin, D. A. Shulga, A. A. Oliferenko, S. A. Pisarev, V. A. Palyulin, and N. S. Zefirov. General purpose electronegativity relaxation charge models applied to CoMFA and CoMSIA study of GSK-3 inhibitors. Molecular Informatics, 30(2-3):169–180, 2011.
- D. I. Osolodkin, D. A. Shulga, V. A. Palyulin, and N. S. Zefirov. Interaction of manzamine A with glycogen synthase kinase 3β: A molecular dynamics study. Russian Chemical Bulletin, 59(10):1983–1993, 2010.
- O. B. Bekker, M. G. Alekseeva, D. I. Osolodkin, V. A. Palyulin, S. M. Elizarov, N. S. Zefirov, and V. N. Danilenko. New test system for serine/threonine protein kinase inhibitors screening: E. coli APHVIII/pk25 design. Acta Naturae, 2(3):110–121, 2010.
- D. I. Osolodkin, D. A. Shulga, D. A. Tsareva, A. A. Oliferenko, V. A. Palyulin, and N. S. Zefirov. The choice of atomic charges calculation scheme in 3D-QSAR modelling of GSK-3β inhibition by paullones. Doklady Biochemistry and Biophysics, 434(1):274–278, 2010.
