Xi‐Ping Huang

The paper tests if molecules from ultra-large libraries are more selective than those from bio-like libraries, finding similar off-target activity despite differences in chemical novelty.

This study investigates the polypharmacological profiles of xanomeline and its metabolite N-desmethylxanomeline, revealing their agonist and antagonist actions at multiple biogenic amine G protein-coupled receptors.

The paper investigates whether other FDA-approved alpha2-adrenergic agonists share xylazine's kappa opioid agonist activity and finds they do not, but have distinct GPCR activity patterns.

The paper examines how sodium ions differentially modulate agonist-induced conformational changes and signaling at μ and κ opioid receptors, revealing opposing effects between the two receptor types.

The paper identifies proton-sensing mechanisms in GPCRs using cryo-EM and deep mutational scanning, revealing a network of residues rather than a single site for proton recognition.

The paper identifies the serotonin 1F receptor as a negative regulator of human beta cell survival during transplant and demonstrates a small molecule antagonist that improves glycemia in islet transplants.

This study shows ivermectin reduces SARS-CoV-2 viral burden in vitro but at concentrations that also cause cytotoxicity, suggesting its antiviral effect may be due to nonspecific membrane perturbation rather than specific antiviral activity.

This study shows xylazine acts as a kappa opioid receptor agonist and that naloxone induces withdrawal from xylazine and fentanyl/xylazine combinations, with greater sensitivity in females.

This study uses a generative deep learning framework to design new KOR antagonists, which are prioritized for synthesis and validated through experimental assays.

The paper reports the structures of D1R-Gs complex bound to dopamine and LY3154207, revealing mechanisms of dopamine recognition and allosteric modulation for drug discovery.

This paper introduces deschloroclozapine (DCZ), a potent and selective DREADD agonist that rapidly modulates neuronal activity and behavior in mice and monkeys.

Affinity-purification mass spectrometry of 26 SARS-CoV-2 proteins in HEK293T cells yields 332 high-confidence host interactions and 67 druggable human proteins with known compounds.

This study investigates the pharmacological profiles of W-18 and W-15, finding no significant opioid activity or other psychoactive drug target interactions.

This paper introduces a 3D molecular representation (E3FP) that improves drug-to-target prediction compared to 2D fingerprints, with experimental validation of novel binding predictions.