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AZIRIDINE-2-CARBOXYLIC ACID DERIVATIVES AND ITS OPEN-RING ISOMERS AS A NOVEL PDIA1 INHIBITORS

Irena Leite, Victor Andrianov, Diana Zelencova-Gopejenko, Einars Loza, Iveta Kazhoka-Lapsa, Ilona Domracheva, Marta Stojak, Stefan Chlopicki, Ivars Kalvins
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Abstract


Acyl derivatives of aziridine-2-carboxylic acid have been synthesized and tested as PDIA1 inhibitors. Calculations of charge value and distribution in aziridine ring system and some alkylating agents were performed. For the first time was found that acyl derivatives of aziridine-2-carboxylic acid are weak to moderately active PDIA1 inhibitors.


Keywords


aziridine-2-carboxylic acid; DFT calculation; isomerisation; PDIA1 inhibitors.

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