7 results for "Daniel Wacker"

Can Targeting the Sodium Site via Water Molecules Lead to the Development of Safer Opioids?

Daniel Wacker; Marta Filizola

ACS Central Science, Vol. 10 No. 8 · 2024 · English · DOAJ Scopus

Molecular basis of human trace amine-associated receptor 1 activation

Gregory Zilberg; Alexandra K. Parpounas; Audrey L. Warren et al.

Nature Communications, Vol. 15 No. 1 · 2024 · English · DOAJ Scopus

Abstract The human trace amine-associated receptor 1 (hTAAR1, hTA1) is a key regulator of monoaminergic neurotransmission and the actions of psychostimulants. Despite preclinical research demonstrating its tractability as a drug target, its molecular mechanisms of activation remain unclear…

Artificial intelligence and machine learning‐aided drug discovery in central nervous system diseases: State‐of‐the‐arts and future directions

Sezen Vatansever; Avner Schlessinger; Daniel Wacker et al.

Medicinal Research Reviews · 2020 · English · OpenAlex Scopus

Neurological disorders significantly outnumber diseases in other therapeutic areas. However, developing drugs for central nervous system (CNS) disorders remains the most challenging area in drug discovery, accompanied with the long timelines and high attrition rates. With the rapid growth of…

Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor

Kuglae Kim; Tao Che; Ouliana Panova et al.

Cell · 2020 · English · OpenAlex Scopus

Structural and dynamic studies uncover a distinct allosteric modulatory site at the µ-opioid receptor

Haonan Zhang; Kirill Konovalov; Alexandra K. Parpounas et al.

Nature Communications, Vol. 17 No. 1 · 2026 · English · DOAJ Scopus

Abstract Positive allosteric modulators (PAMs) of the μ opioid receptor (MOR) offer a promising path toward safer opioid therapeutics, yet their mechanisms of action remain poorly understood. Here, we uncover the structural and mechanistic basis of BMS-986187, a chemically distinct MOR PAM with in…

Nanobody-enabled monitoring of kappa opioid receptor states

Tao Che; Justin English; Brian E. Krumm et al.

Nature Communications, Vol. 11 No. 1 · 2020 · English · DOAJ Scopus

Recent studies revealed that G protein-coupled receptors rapidly interconvert between multiple states. Here, authors use the kappa opioid receptor (KOR) and show how two state-dependent nanobodies provide real-time reporting of ligand stabilized states with KOR and other GPCRs.

Structural insights enable drug discovery for the neuronal NBCn2 carbonate transporter

Shifan Yang; Yihan Zhao; Sezen Vatansever et al.

Nature Communications, Vol. 17 No. 1 · 2026 · English · DOAJ Scopus

Abstract NBCn2 (SLC4A10), a member of the SLC4 solute carrier (SLC) family, is a sodium-dependent (bi)carbonate transporter that regulates acid extrusion in various brain regions. Mutations in NBCn2 cause severe neurodevelopmental disorders in humans, and knock out studies suggest that its role in…