Rational design and synthesis of new PARP1 inhibitors

Rational design and synthesis of new PARP1 inhibitors Full article

Journal

Mendeleev Communications
ISSN: 1364-551X , E-ISSN: 0959-9436

Output data

Year: 2012, Volume: 22, Number: 1, Pages: 15-17 Pages count : 3 DOI: 10.1016/j.mencom.2012.01.005

Authors

Romashov Leonid V. ¹ , Zeifman Alexey A. ² , Zakharenko Alexandra L. ³ , Novikov Fedor N. ² , Stroilov Viktor S. ² , Stroganov Oleg V. ² , Chilov Germes G. ² , Khodyreva Svetlana N. ³ , Lavrik Olga I. ³ , Titov Ilya Yu. ^1,2 , Svitan’ko Igor V. ^1,2

Affiliations

1	Higher Chemical College, Russian Academy of Sciences, 125047 Moscow, Russian Federation
2	N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation
3	Novosibirsk Institute of Chemical Biology and Fundamental Medicine, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk, Russian Federation

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.

Romashov L.V. , Zeifman A.A. , Zakharenko A.L. , Novikov F.N. , Stroilov V.S. , Stroganov O.V. , Chilov G.G. , Khodyreva S.N. , Lavrik O.I. , Titov I.Y. , Svitan’ko I.V.
Rational design and synthesis of new PARP1 inhibitors
Mendeleev Communications. 2012. V.22. N1. P.15-17. DOI: 10.1016/j.mencom.2012.01.005 WOS Scopus OpenAlex

Web of science:	WOS:000301020400005
Scopus:	2-s2.0-84856527964
OpenAlex:	W2083585208

DB	Citing
OpenAlex	12
Scopus	12
Web of science	11