S. Z. Vatsadze, D. A. Shulga, Yu. D. Loginova, I. A. Vatsadze, L. Wang, H. Yu, K. V. Kudryavtsev, “Computer modeling of ferrocene-substituted 3,7-diazabicyclo[3.3.1]nonanes as serine protease inhibitors”, Mendeleev Commun., 26:3 (2016), 212

Эта публикация цитируется в 10 статьях

Communications

Computer modeling of ferrocene-substituted 3,7-diazabicyclo[3.3.1]nonanes as serine protease inhibitors

S. Z. Vatsadze^a, D. A. Shulga^a, Yu. D. Loginova^a, I. A. Vatsadze^b, L. Wang^c, H. Yu^c, K. V. Kudryavtsev^a

^a Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^b N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
^c Department of Chemistry, Zhejiang University, Hangzhou, China

Аннотация: The docking study of ferrocene-substituted bispidines to binding sites of thrombin and factor Xa has shown that bispidine scaffold provides a 3D-arranegment of all substituents and a direction for the ferrocene group to fill the S4 pocket for both thrombin and factor Xa.

Язык публикации: английский

DOI: 10.1016/j.mencom.2016.04.011

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