In 2019,Biochemistry included an article by McLeod, Matthew J.; Krismanich, Anthony P.; Assoud, Abdeljalil; Dmitrienko, Gary I.; Holyoak, Todd. Computed Properties of C6H5NO2. The article was titled ãCharacterization of 3-[(Carboxymethyl)thio]picolinic Acid: A Novel Inhibitor of Phosphoenolpyruvate Carboxykinaseã? The information in the text is summarized as follows:
Phosphoenolpyruvate carboxykinase (PEPCK) has traditionally been characterized for its role in the first committed step of gluconeogenesis. The current understanding of PEPCK’s metabolic role has recently expanded to include it serving as a general mediator of tricarboxylic acid cycle flux. Selective inhibition of PEPCK in vivo and in vitro has been achieved with 3-mercaptopicolinic acid (MPA) (Ki â?8μM), whose mechanism of inhibition has been elucidated only recently. On the basis of crystallog. and mechanistic data of various inhibitors of PEPCK, MPA was used as the initial chem. scaffold to create a potentially more selective inhibitor, 3-[(carboxymethyl)thio]picolinic acid (CMP), which has been characterized both structurally and kinetically here. These data demonstrate that CMP acts as a competitive inhibitor at the OAA/PEP binding site, with its picolinic acid moiety coordinating directly with the M1 metal in the active site (Ki â?29-55μM). The extended carboxy tail occupies a secondary binding cleft that was previously shown could be occupied by sulfoacetate (Ki â?82μM) and for the first time demonstrates the simultaneous occupation of both OAA/PEP subsites by a single mol. structure. By occupying both the OAA/PEP binding subsites simultaneously, CMP and similar mols. can potentially be used as a starting point for the creation of addnl. selective inhibitors of PEPCK. The experimental part of the paper was very detailed, including the reaction process of Picolinic acid(cas: 98-98-6Computed Properties of C6H5NO2)
Picolinic acid(cas: 98-98-6) is used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.Computed Properties of C6H5NO2