Structure-based discovery of opioid analgesics with reduced side effects

G-protein–gated Inwardly Rectifying Potassium Channels Modulate Respiratory Depression by Opioids

(2016) Gaspard Montandon et al.   ANESTHESIOLOGY

Mu Opioid Receptor Modulation of Dopamine Neurons in the Periaqueductal Gray/Dorsal Raphe: A Role in Regulation of Pain

(2016) Chia Li et al.   NEUROPSYCHOPHARMACOLOGY

Elucidating an Affective Pain Circuit that Creates a Threat Memory

(2015) Sung Han et al.   CELL

Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65

(2015) Xi-Ping Huang et al.   NATURE

Structural insights into µ-opioid receptor activation

(2015) Weijiao Huang et al.   NATURE

Structural basis for bifunctional peptide recognition at human δ-opioid receptor

(2015) Gustavo Fenalti et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Structural basis for bifunctional peptide recognition at human δ-opioid receptor

(2015) Gustavo Fenalti et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Functionally Selective Dopamine D2, D3 Receptor Partial Agonists

(2014) Dorothee Möller et al.   JOURNAL OF MEDICINAL CHEMISTRY

Olfactory exposure to males, including men, causes stress and related analgesia in rodents

(2014) Robert E Sorge et al.   NATURE METHODS

Biased agonism of the μ-opioid receptor by TRV130 increases analgesia and reduces on-target adverse effects versus morphine: A randomized, double-blind, placebo-controlled, crossover study in healthy volunteers

(2014) David G. Soergel et al.   PAIN

Covalent agonists for studying G protein-coupled receptor activation

(2014) D. Weichert et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor

(2013) Dahlia R. Weiss et al.   ACS Chemical Biology

Discovery of a Novel Selective Kappa-Opioid Receptor Agonist Using Crystal Structure-Based Virtual Screening

(2013) Ana Negri et al.   Journal of Chemical Information and Modeling

Functionally Selective Dopamine D2/D3 Receptor Agonists Comprising an Enyne Moiety

(2013) Christine Hiller et al.   JOURNAL OF MEDICINAL CHEMISTRY

Signalling bias in new drug discovery: detection, quantification and therapeutic impact

(2013) Terry Kenakin et al.   NATURE REVIEWS DRUG DISCOVERY

Quantifying biased agonism: understanding the links between affinity and efficacy

(2013) Sudarshan Rajagopal   NATURE REVIEWS DRUG DISCOVERY

Co-Expression of GRK2 Reveals a Novel Conformational State of the µ-Opioid Receptor

(2013) Sarah A. Nickolls et al.   PLoS One

Thermal sensitivity as a measure of spontaneous morphine withdrawal in mice

(2013) Rebecca E. Balter et al.   JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS

ZINC: A Free Tool to Discover Chemistry for Biology

(2012) John J. Irwin et al.   Journal of Chemical Information and Modeling

Identification of Novel Adenosine A2A Receptor Antagonists by Virtual Screening

(2012) Christopher J. Langmead et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure of the δ-opioid receptor bound to naltrindole

(2012) Sébastien Granier et al.   NATURE

Structure of the human κ-opioid receptor in complex with JDTic

(2012) Huixian Wu et al.   NATURE

Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic

(2012) Aaron A. Thompson et al.   NATURE

Crystal structure of the µ-opioid receptor bound to a morphinan antagonist

(2012) Aashish Manglik et al.   NATURE

Automated design of ligands to polypharmacological profiles

(2012) Jérémy Besnard et al.   NATURE

Structure-based ligand discovery for the protein-protein interface of chemokine receptor CXCR4

(2012) M. M. Mysinger et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Crystal Structure-Based Virtual Screening for Fragment-like Ligands of the Human Histamine H1Receptor

(2011) Chris de Graaf et al.   JOURNAL OF MEDICINAL CHEMISTRY

Molecular Dynamics Simulations of the Effect of the G-Protein and Diffusible Ligands on the β2-Adrenergic Receptor

(2011) Angela Goetz et al.   JOURNAL OF MOLECULAR BIOLOGY

Quantifying Ligand Bias at Seven-Transmembrane Receptors

(2011) S. Rajagopal et al.   MOLECULAR PHARMACOLOGY

Ligand discovery from a dopamine D3 receptor homology model and crystal structure

(2011) Jens Carlsson et al.   Nature Chemical Biology

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

Identification of Human Ether-à-go-go Related Gene Modulators by Three Screening Platforms in an Academic Drug-Discovery Setting

(2010) Xi-Ping Huang et al.   ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES

Chronic Social Stress and Susceptibility to Concentrated Ambient Fine Particles in Rats

(2010) Jane E. Clougherty et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Rapid Context-Dependent Ligand Desolvation in Molecular Docking

(2010) Michael M. Mysinger et al.   Journal of Chemical Information and Modeling

Structure-Based Discovery of Novel Chemotypes for Adenosine A2AReceptor Antagonists

(2010) Vsevolod Katritch et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure-Based Discovery of A2AAdenosine Receptor Ligands

(2010) Jens Carlsson et al.   JOURNAL OF MEDICINAL CHEMISTRY

Automated Docking Screens: A Feasibility Study

(2009) John J. Irwin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure-based discovery of  2-adrenergic receptor ligands

(2009) P. Kolb et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping

(2008) Steven W. Muchmore et al.   Journal of Chemical Information and Modeling

G Protein Coupling and Ligand Selectivity of the D2L and D3 Dopamine Receptors

(2008) J. R. Lane et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS