Joao M. Braz

Structure based discovery of antipsychotic-like TAAR1 agonists

The paper identifies TAAR1 agonists with antipsychotic-like effects through computational screening and experimental validation, showing improved potency and reduced side effects in a schizophrenia model.

Toward a Random Background for Ligand Optimization

This study systematically evaluates the effectiveness of random small perturbations in ligand optimization, finding 11.2% of analogs improved potency by ≥10-fold but often had worse pharmacokinetics.

Paradoxical increases in anterior cingulate cortex activity during nitrous oxide-induced analgesia reveal a signature of pain affect

The paper shows that nitrous oxide increases anterior cingulate cortex activity in mice, suggesting this activity reflects pain affect even under anesthesia.

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

The paper screens 14.6 million virtual isoquinuclidines against opioid receptors to identify dual antagonists-inverse agonists with reduced withdrawal effects compared to naloxone.