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

Sergey Zurabovich Vatsadze 1
Sergey Zurabovich Vatsadze
,  , 
Yulia Dmitrievna Loginova 1
Yulia Dmitrievna Loginova
, 
Irina Anatol'evna Vatsadze 2
Irina Anatol'evna Vatsadze
, 
Li Wang 3
Li Wang
, 
Haojie Yu 3
Haojie Yu
, 
Konstantin Victorovich Kudryavtsev 1
Konstantin Victorovich Kudryavtsev
10.1016/j.mencom.2016.04.011
Published 2016-04-28
Communication , Volume 26, Issue 3, 212-213
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Vatsadze S. Z. et al. Computer modeling of ferrocene-substituted 3,7-diazabicyclo[3.3.1]nonanes as serine protease inhibitors // Mendeleev Communications. 2016. Vol. 26. No. 3. pp. 212-213.
GOST all authors (up to 50) Copy
Vatsadze S. Z., Shulga D. A., Loginova Y. D., Vatsadze I. A., Wang L., Yu H., Kudryavtsev K. V. Computer modeling of ferrocene-substituted 3,7-diazabicyclo[3.3.1]nonanes as serine protease inhibitors // Mendeleev Communications. 2016. Vol. 26. No. 3. pp. 212-213.
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TY - JOUR
DO - 10.1016/j.mencom.2016.04.011
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.04.011
TI - Computer modeling of ferrocene-substituted 3,7-diazabicyclo[3.3.1]nonanes as serine protease inhibitors
T2 - Mendeleev Communications
AU - Vatsadze, Sergey Zurabovich
AU - Shulga, Dmitry Alexandrovich
AU - Loginova, Yulia Dmitrievna
AU - Vatsadze, Irina Anatol'evna
AU - Wang, Li
AU - Yu, Haojie
AU - Kudryavtsev, Konstantin Victorovich
PY - 2016
DA - 2016/04/28
PB - Mendeleev Communications
SP - 212-213
IS - 3
VL - 26
ER -
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@article{2016_Vatsadze,
author = {Sergey Zurabovich Vatsadze and Dmitry Alexandrovich Shulga and Yulia Dmitrievna Loginova and Irina Anatol'evna Vatsadze and Li Wang and Haojie Yu and Konstantin Victorovich Kudryavtsev},
title = {Computer modeling of ferrocene-substituted 3,7-diazabicyclo[3.3.1]nonanes as serine protease inhibitors},
journal = {Mendeleev Communications},
year = {2016},
volume = {26},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.04.011},
number = {3},
pages = {212--213},
doi = {10.1016/j.mencom.2016.04.011}
}
MLA
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Vatsadze, Sergey Zurabovich, et al. “Computer modeling of ferrocene-substituted 3,7-diazabicyclo[3.3.1]nonanes as serine protease inhibitors.” Mendeleev Communications, vol. 26, no. 3, Apr. 2016, pp. 212-213. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.04.011.

Abstract

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.

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