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Discovery of a series of 2-(pyridinyl)pyrimidines as potent antagonists of GPR40
A series of 2-(pyridinyl)pyrimidines were identified as potent GPR40 antagonists. Despite significant challenges related to improving the combination of potency and lipophilicity within the series,Expand
THE DETERMINATION OF THE AREAS OF RESOLVED AND PARTIALLY RESOLVED CHROMATOGRAPHY PEAKS
Gas chromatographic peaks were demonstrated to have the form of normal distribution curves. A mathematical treatment has been developed which permits the calculation of the areas of these curves fromExpand
Understanding the mechanism of B(12)-dependent diol dehydratase: a synergistic retro-push--pull proposal.
TLDR
This work finds that "pushing" the migrating hydroxyl, through interaction with a suitable acid, is able to provide significant catalysis and the combination of these two effects results in a barrier reduction that is notably greater than additive. Expand
Understanding the mechanism of action of B12-dependent ethanolamine ammonia-lyase: synergistic interactions at play.
TLDR
Ab initio molecular orbital calculations are used to examine the mechanism of action of B(12)-dependent ethanolamine ammonia-lyase involving the conversion of 2-aminoethanol to acetaldehyde plus ammonia and suggest a preferred pathway involving a 1,2-shift in the associated radical. Expand
Enzyme catalysis of 1,2-amino shifts: the cooperative action of B6, B12, and aminomutases.
TLDR
The authors' calculations suggest essential catalytic roles for each of B12, B6, and the enzyme in aminomutase-catalyzed reactions, with coenzyme B12 providing a source of abstracting radicals, allowing the rearrangement reaction to take place on the radical surface. Expand
ATP-induced Structural Transitions in PAN, the Proteasome-regulatory ATPase Complex in Archaea*
TLDR
Protease sensitivity was used to monitor the conformations of the PAN ATPase from Methanococcus jannischii and modeled the conformational changes associated with ATP binding and hydrolysis in PAN based on the x-ray structures of the homologous AAA ATPase, HslU. Expand
Interconversion of (S)-glutamate and (2S,3S)-3-methylaspartate: a distinctive B(12)-dependent carbon-skeleton rearrangement.
TLDR
Calculated electron paramagnetic resonance parameters support experimental evidence for the involvement of substrate-derived radicals in substrate activation and product formation via radical generation and will hopefully aid the future detection of other important radical intermediates. Expand
The elusive 5'-deoxyadenosyl radical in coenzyme-B12-mediated reactions.
TLDR
It is demonstrated that the 5'-deoxyadenosyl radical (dAdo(•)) exists as a distinct entity in this reaction, consistent with the results of extensive experimental and some previous theoretical studies. Expand
The unusual bifunctional catalysis of epimerization and desaturation by carbapenem synthase.
TLDR
High-level ab initio calculations have been used to study the mechanism for the conversion of (3S,5S)-carbapenam to the biologically active beta-lactam antibiotics, catalyzed by carbapenem synthase, and suggest that the reaction proceeds via initial abstraction of the C5 hydrogen atom, followed by epimerization. Expand
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