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Design, Synthesis, and In Vitro Activity of Pyrazine Compounds

1
RGCC S.A. Industrial Area of Florina, GR53100 Florina, Greece
2
Medicinal Chemistry Division, Rgcc India Private Limited, Hyderabad 500090, India
3
RGCC International GmbH, Baarerstrasse, 956301 Zug, Switzerland
*
Author to whom correspondence should be addressed.
Molecules 2019, 24(23), 4389; https://doi.org/10.3390/molecules24234389
Received: 12 November 2019 / Revised: 27 November 2019 / Accepted: 29 November 2019 / Published: 1 December 2019
Despite the fact that there are several anticancer drugs available, cancer has evolved using different pathways inside the cell. The protein tyrosine phosphatases pathway is responsible for monitoring cell proliferation, diversity, migration, and metabolism. More specifically, the SHP2 protein, which is a member of the PTPs family, is closely related to cancer. In our efforts, with the aid of a structure-based drug design, we optimized the known inhibitor SHP099 by introducing 1-(methylsulfonyl)-4-prolylpiperazine as a linker. We designed and synthesized three pyrazine-based small molecules. We started with prolines as cyclic amines, confirming that our structures had the same interactions with those already existing in the literature, and, here, we report one new hydrogen bond. These studies concluded in the discovery of methyl (6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl)prolylprolinate hydrochloride as one of the final compounds which is an active and acceptable cytotoxic agent. View Full-Text
Keywords: structure-based drug design; pyrazine compounds; protein tyrosine phosphatases structure-based drug design; pyrazine compounds; protein tyrosine phosphatases
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Parsonidis, P.; Shaik, M.; Serafeim, A.P.; Vlachou, I.; Daikopoulou, V.; Papasotiriou, I. Design, Synthesis, and In Vitro Activity of Pyrazine Compounds. Molecules 2019, 24, 4389.

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