Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.

Large library docking of tangible molecules has revealed potent ligands across many targets. While make-on-demand libraries now exceed 75 billion enumerated molecules, their synthetic routes are dominated by a few reaction types, reducing diversity and inevitably leaving many interesting bioactive-like chemotypes unexplored. Here, we investigate the large-scale enumeration and targeted docking of isoquinuclidines.

Citric Acid and Sodium Bicarbonate as an Alternative Carbon Dioxide Source for Mosquito Surveillance.

Most mosquito surveillance programs rely on traps baited with carbon dioxide (CO) to attract host-seeking mosquitoes. The source of CO, traditionally dry ice or gas cylinders, poses operational challenges, especially in remote locations. CO production from citric acid and sodium bicarbonate (NaHCO) using low-cost intravenous fluid bags ('acid traps') was evaluated in laboratory experiments.

Synthesis of β-Alanine From Isoleucine and Propionate Catabolism via Aminotransferases.

In plants, the nonproteinogenic amino acid β-alanine plays a role in response to hypoxia, flooding, drought, heat, and heavy metal stress conditions. It is also a key intermediate in the synthesis of essential molecules including vitamin B5 and coenzyme A (CoA) through the condensation reaction with pantoate. While the syntheses of pantoate, vitamin B5, and CoA appear to be conserved across plants and bacteria, the synthesis of β-alanine is not.

Factors shaping socio-emotional trajectories in sanctuary-living bonobos: a longitudinal approach.

Early maternal loss can have lasting detrimental effects on primate social development. While many rehabilitation settings provide enriching environments to buffer against such effects in orphans, previous research indicates that young bonobo () orphans exhibit striking deficiencies in socio-emotional competence compared to their mother-reared peers. However, such studies are generally cross-sectional, without accounting for changes across the lifespan.