Patrick McCarren

TL;DR: This work hand-curated a collection of 4,707 compounds, experimentally confirmed their identities, and annotated them with literature-reported targets, to assemble a comprehensive library of drugs that have reached the clinic and established a blueprint for others to easily assemble such a repurposing library.

TL;DR: Combined use of quantitative structure-permeability modeling and the procedure for conformational analysis now, for the first time, provides chemists with a rational approach to design cell- permeable non-peptidic macrocycles with potential for oral absorption.

TL;DR: The origins of reactivity and regioselectivity in nickel-catalyzed reductive coupling reactions of alkynes and aldehydes were investigated with density functional calculations, finding that simple alkynes are controlled by steric effects, while conjugated enynes and diynes are predicted to have increased reactsivity and very high regiOSElectivities.

TL;DR: It is shown that TrpAB is required for the survival of Mtb and Mycobacterium marinum in vivo and that this requirement may be independent of an adaptive immune response, and suggests a framework for the discovery of a next generation of allosteric inhibitors.

TL;DR: A series of α-d-arabinofuranosyl oligosaccharides (2−8) that are fragments of the arabinan portions of two polysaccharides present in the cell wall of Mycobacterium tuberculosis have been synthesized as discussed by the authors.