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Rational design and synthesis of new PARP1 inhibitors

Leonid Vladimirovich Romashov 1
Leonid Vladimirovich Romashov
, 
Alexey A Zeifman 2
Alexey A Zeifman
, 
Alexandra Leonidovna Zakharenko 3
Alexandra Leonidovna Zakharenko
, 
Fedor Nikolaevich Novikov 2
Fedor Nikolaevich Novikov
, 
Viktor Sergeevich Stroylov 2
Viktor Sergeevich Stroylov
, 
Oleg Valentinovich Stroganov 2
Oleg Valentinovich Stroganov
, 
Ghermes Grigor'evich Chilov 2
Ghermes Grigor'evich Chilov
, 
Svetlana Nikolaevna Khodyreva 3
Svetlana Nikolaevna Khodyreva
, 
Olga Ivanovna Lavrik 3
Olga Ivanovna Lavrik
, 
Ilya Yur'evich Titov 1, 2
Ilya Yur'evich Titov
, 
Igor Svitanko 1, 2
Igor Svitanko
10.1016/j.mencom.2012.01.005
Published 2011-12-29
Communication , Volume 22, Issue 1, 15-17
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Romashov L. V. et al. Rational design and synthesis of new PARP1 inhibitors // Mendeleev Communications. 2011. Vol. 22. No. 1. pp. 15-17.
GOST all authors (up to 50) Copy
Romashov L. V., Zeifman A. A., Zakharenko A. L., Novikov F. N., Stroylov V. S., Stroganov O. V., Chilov G. G., Khodyreva S. N., Lavrik O. I., Titov I. Y., Svitanko I. Rational design and synthesis of new PARP1 inhibitors // Mendeleev Communications. 2011. Vol. 22. No. 1. pp. 15-17.
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TY - JOUR
DO - 10.1016/j.mencom.2012.01.005
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2012.01.005
TI - Rational design and synthesis of new PARP1 inhibitors
T2 - Mendeleev Communications
AU - Romashov, Leonid Vladimirovich
AU - Zeifman, Alexey A
AU - Zakharenko, Alexandra Leonidovna
AU - Novikov, Fedor Nikolaevich
AU - Stroylov, Viktor Sergeevich
AU - Stroganov, Oleg Valentinovich
AU - Chilov, Ghermes Grigor'evich
AU - Khodyreva, Svetlana Nikolaevna
AU - Lavrik, Olga Ivanovna
AU - Titov, Ilya Yur'evich
AU - Svitanko, Igor
PY - 2011
DA - 2011/12/29
PB - Mendeleev Communications
SP - 15-17
IS - 1
VL - 22
ER -
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@article{2011_Romashov,
author = {Leonid Vladimirovich Romashov and Alexey A Zeifman and Alexandra Leonidovna Zakharenko and Fedor Nikolaevich Novikov and Viktor Sergeevich Stroylov and Oleg Valentinovich Stroganov and Ghermes Grigor'evich Chilov and Svetlana Nikolaevna Khodyreva and Olga Ivanovna Lavrik and Ilya Yur'evich Titov and Igor Svitanko},
title = {Rational design and synthesis of new PARP1 inhibitors},
journal = {Mendeleev Communications},
year = {2011},
volume = {22},
publisher = {Mendeleev Communications},
month = {Dec},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2012.01.005},
number = {1},
pages = {15--17},
doi = {10.1016/j.mencom.2012.01.005}
}
MLA
Cite this
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Romashov, Leonid Vladimirovich, et al. “Rational design and synthesis of new PARP1 inhibitors.” Mendeleev Communications, vol. 22, no. 1, Dec. 2011, pp. 15-17. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2012.01.005.

Abstract

A preliminary simulation of bioactive compounds followed by their synthesis have been carried out: a set of new fragment PARP1 inhibitors – 3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one derivatives – have been obtained. Molecular simulation has shown that binding is characterized by correlated hydrogen bonds with PARP1 and displacement of the highly-conservative water molecule by a polar group.

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