Signaling Modulation Mediated by Ligand Water Interactions with the Sodium Site at μOR.

Autor: Ople RS; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Ramos-Gonzalez N; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Li Q; Department of Cellular and Molecular Pharmacology, University of California, San Francisco, San Francisco, California 94158, United States., Sobecks BL; Department of Computer Science, Stanford University, Stanford, California 94305, United States.; Department of Structural Biology, Stanford University School of Medicine, Stanford, California 94305, United States.; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., Aydin D; Department of Computer Science, Stanford University, Stanford, California 94305, United States.; Department of Structural Biology, Stanford University School of Medicine, Stanford, California 94305, United States.; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., Powers AS; Department of Computer Science, Stanford University, Stanford, California 94305, United States.; Department of Structural Biology, Stanford University School of Medicine, Stanford, California 94305, United States.; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., Faouzi A; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Polacco BJ; Department of Computer Science, Stanford University, Stanford, California 94305, United States.; Department of Structural Biology, Stanford University School of Medicine, Stanford, California 94305, United States., Bernhard SM; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Appourchaux K; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Sribhashyam S; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Eans SO; Department of Pharmacodynamics, University of Florida, Gainesville, Florida 032610, United States., Tsai BA; Department of Pharmacodynamics, University of Florida, Gainesville, Florida 032610, United States., Dror RO; Department of Computer Science, Stanford University, Stanford, California 94305, United States.; Department of Structural Biology, Stanford University School of Medicine, Stanford, California 94305, United States.; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., Varga BR; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Wang H; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., Hüttenhain R; Department of Molecular & Cellular Physiology, Stanford University School of Medicine, Stanford, California 94305, United States., McLaughlin JP; Department of Pharmacodynamics, University of Florida, Gainesville, Florida 032610, United States., Majumdar S; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology and Washington University Pain Center, Washington University School of Medicine, St. Louis, Missouri 63110, United States.

Publikováno v: ACS central science [ACS Cent Sci] 2024 Jul 17; Vol. 10 (8), pp. 1490-1503. Date of Electronic Publication: 2024 Jul 17 (Print Publication: 2024).

A µ-opioid receptor modulator that works cooperatively with naloxone.

Autor: O'Brien ES; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., Rangari VA; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy at St Louis and Washington University School of Medicine, St Louis, MO, USA., El Daibani A; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy at St Louis and Washington University School of Medicine, St Louis, MO, USA., Eans SO; Department of Pharmacodynamics, University of Florida, Gainesville, FL, USA., Hammond HR; Department of Pharmacodynamics, University of Florida, Gainesville, FL, USA., White E; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., Wang H; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., Shiimura Y; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA.; Division of Molecular Genetics, Institute of Life Science, Kurume University, Fukuoka, Japan., Krishna Kumar K; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., Jiang Q; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy at St Louis and Washington University School of Medicine, St Louis, MO, USA., Appourchaux K; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy at St Louis and Washington University School of Medicine, St Louis, MO, USA., Huang W; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., Zhang C; Division of CryoEM and Bioimaging, SSRL, SLAC National Acceleration Laboratory, Menlo Park, CA, USA., Kennedy BJ; Lotus Separations, Princeton University, Princeton, NJ, USA., Mathiesen JM; Department of Drug Design and Pharmacology, University of Copenhagen, Copenhagen, Denmark., Che T; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy at St Louis and Washington University School of Medicine, St Louis, MO, USA., McLaughlin JP; Department of Pharmacodynamics, University of Florida, Gainesville, FL, USA. jpmclaughlin@ufl.edu., Majumdar S; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy at St Louis and Washington University School of Medicine, St Louis, MO, USA. susrutam@wustl.edu., Kobilka BK; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA. kobilka@stanford.edu.

Publikováno v: Nature [Nature] 2024 Jul; Vol. 631 (8021), pp. 686-693. Date of Electronic Publication: 2024 Jul 03.

Design and structural validation of peptide-drug conjugate ligands of the kappa-opioid receptor.

Autor: Muratspahić E; Center for Physiology and Pharmacology, Institute of Pharmacology, Medical University of Vienna, 1090, Vienna, Austria.; Institute for Protein Design, University of Washington, Seattle, WA, 98195, USA., Deibler K; Institute for Protein Design, University of Washington, Seattle, WA, 98195, USA.; Novo Nordisk Research Center Seattle, Novo Nordisk A/S, 530 Fairview Ave N #5000, Seattle, WA, 97403, USA., Han J; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, MO, 63110, USA., Tomašević N; Center for Physiology and Pharmacology, Institute of Pharmacology, Medical University of Vienna, 1090, Vienna, Austria., Jadhav KB; Institute of Biological Chemistry, Faculty of Chemistry, University of Vienna, 1090, Vienna, Austria., Olivé-Marti AL; Department of Pharmaceutical Chemistry, Institute of Pharmacy and Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80-82, 6020, Innsbruck, Austria., Hochrainer N; Department of Pharmaceutical Chemistry, Institute of Pharmacy and Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80-82, 6020, Innsbruck, Austria., Hellinger R; Center for Physiology and Pharmacology, Institute of Pharmacology, Medical University of Vienna, 1090, Vienna, Austria., Koehbach J; Institute for Molecular Bioscience, Australian Research Council Centre of Excellence for Innovations in Peptide and Protein Science, The University of Queensland, Brisbane, QLD, 4072, Australia.; School of Biomedical Sciences, Faculty for Medicine, The University of Queensland, Brisbane, QLD, 4072, Australia., Fay JF; Department of Biochemistry and Molecular Biology, University of Maryland Baltimore, Baltimore, MD, 21201, USA., Rahman MH; Department of Pharmaceutical and Administrative Sciences, Saint Louis College of Pharmacy, University of Health Sciences & Pharmacy in St. Louis, St. Louis, MO, 63110, USA., Hegazy L; Department of Pharmaceutical and Administrative Sciences, Saint Louis College of Pharmacy, University of Health Sciences & Pharmacy in St. Louis, St. Louis, MO, 63110, USA., Craven TW; Institute for Protein Design, University of Washington, Seattle, WA, 98195, USA., Varga BR; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, MO, 63110, USA.; Department of Anesthesiology, Washington University School of Medicine, St. Louis, MO, 63110, USA., Bhardwaj G; Institute for Protein Design, University of Washington, Seattle, WA, 98195, USA., Appourchaux K; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, MO, 63110, USA.; Department of Anesthesiology, Washington University School of Medicine, St. Louis, MO, 63110, USA., Majumdar S; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, MO, 63110, USA.; Department of Anesthesiology, Washington University School of Medicine, St. Louis, MO, 63110, USA., Muttenthaler M; Institute of Biological Chemistry, Faculty of Chemistry, University of Vienna, 1090, Vienna, Austria.; Institute for Molecular Bioscience, The University of Queensland, Brisbane, QLD, 4072, Australia., Hosseinzadeh P; Department of Bioengineering, Knight Campus, University of Oregon, Eugene, OR, 97403, USA., Craik DJ; Institute for Molecular Bioscience, Australian Research Council Centre of Excellence for Innovations in Peptide and Protein Science, The University of Queensland, Brisbane, QLD, 4072, Australia., Spetea M; Department of Pharmaceutical Chemistry, Institute of Pharmacy and Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80-82, 6020, Innsbruck, Austria., Che T; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, MO, 63110, USA. taoche@wustl.edu.; Department of Anesthesiology, Washington University School of Medicine, St. Louis, MO, 63110, USA. taoche@wustl.edu., Baker D; Institute for Protein Design, University of Washington, Seattle, WA, 98195, USA. dabaker@uw.edu.; Department of Biochemistry, University of Washington, Seattle, WA, 98195, USA. dabaker@uw.edu.; Howard Hughes Medical Institute, University of Washington, Seattle, Washington, WA, 98195, USA. dabaker@uw.edu., Gruber CW; Center for Physiology and Pharmacology, Institute of Pharmacology, Medical University of Vienna, 1090, Vienna, Austria. christian.w.gruber@meduniwien.ac.at.

Publikováno v: Nature communications [Nat Commun] 2023 Dec 06; Vol. 14 (1), pp. 8064. Date of Electronic Publication: 2023 Dec 06.

Structure-based design of bitopic ligands for the µ-opioid receptor.

Autor: Faouzi A; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy and Washington University School of Medicine, St Louis, MO, USA., Wang H; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA., Zaidi SA; Department of Quantitative and Computational Biology, Department of Chemistry, Bridge Institute and Michelson Center for Convergent Bioscience, University of Southern California, Los Angeles, CA, USA., DiBerto JF; Department of Pharmacology, University of North Carolina School of Medicine, Chapel Hill, NC, USA., Che T; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy and Washington University School of Medicine, St Louis, MO, USA.; Department of Pharmacology, University of North Carolina School of Medicine, Chapel Hill, NC, USA., Qu Q; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA.; Department of Structural Biology, Stanford University School of Medicine, Stanford, CA, USA., Robertson MJ; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA.; Department of Structural Biology, Stanford University School of Medicine, Stanford, CA, USA., Madasu MK; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy and Washington University School of Medicine, St Louis, MO, USA., El Daibani A; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy and Washington University School of Medicine, St Louis, MO, USA., Varga BR; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy and Washington University School of Medicine, St Louis, MO, USA., Zhang T; Department of Neurology and Molecular Pharmacology, Memorial Sloan Kettering Cancer Center, New York, NY, USA., Ruiz C; Department of Chemistry, Scripps Research, Jupiter, FL, USA., Liu S; Department of Anesthesiology, Rutgers New Jersey Medical School, Newark, NJ, USA., Xu J; Department of Anesthesiology, Rutgers New Jersey Medical School, Newark, NJ, USA., Appourchaux K; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy and Washington University School of Medicine, St Louis, MO, USA., Slocum ST; Department of Pharmacology, University of North Carolina School of Medicine, Chapel Hill, NC, USA., Eans SO; Department of Pharmacodynamics, University of Florida, Gainesville, FL, USA., Cameron MD; Department of Chemistry, Scripps Research, Jupiter, FL, USA., Al-Hasani R; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy and Washington University School of Medicine, St Louis, MO, USA., Pan YX; Department of Neurology and Molecular Pharmacology, Memorial Sloan Kettering Cancer Center, New York, NY, USA.; Department of Anesthesiology, Rutgers New Jersey Medical School, Newark, NJ, USA., Roth BL; Department of Pharmacology, University of North Carolina School of Medicine, Chapel Hill, NC, USA., McLaughlin JP; Department of Pharmacodynamics, University of Florida, Gainesville, FL, USA., Skiniotis G; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA. yiorgo@stanford.edu.; Department of Structural Biology, Stanford University School of Medicine, Stanford, CA, USA. yiorgo@stanford.edu., Katritch V; Department of Quantitative and Computational Biology, Department of Chemistry, Bridge Institute and Michelson Center for Convergent Bioscience, University of Southern California, Los Angeles, CA, USA. Katritch@usc.edu., Kobilka BK; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA, USA. kobilka@stanford.edu., Majumdar S; Center for Clinical Pharmacology, University of Health Sciences and Pharmacy and Washington University School of Medicine, St Louis, MO, USA. susrutam@email.wustl.edu.

Publikováno v: Nature [Nature] 2023 Jan; Vol. 613 (7945), pp. 767-774. Date of Electronic Publication: 2022 Nov 30.

Kratom Alkaloids as Probes for Opioid Receptor Function: Pharmacological Characterization of Minor Indole and Oxindole Alkaloids from Kratom.

Autor: Chakraborty S; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Uprety R; Department of Neurology, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States., Daibani AE; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology, Washington University School of Medicine, St. Louis, Missouri 63110, United States., Rouzic VL; Department of Neurology, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States., Hunkele A; Department of Neurology, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States., Appourchaux K; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States., Eans SO; Department of Pharmacodynamics, University of Florida, Gainesville, Florida 032610, United States., Nuthikattu N; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States., Jilakara R; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States., Thammavong L; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States., Pasternak GW; Department of Neurology, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States., Pan YX; Department of Neurology, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States.; Department of Anesthesiology, Rutgers New Jersey Medical School, Newark, New Jersey 07103, United States., McLaughlin JP; Department of Pharmacodynamics, University of Florida, Gainesville, Florida 032610, United States., Che T; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology, Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Pharmacology, University of North Carolina at Chapel Hill School of Medicine, Chapel Hill, North Carolina 27599, United States., Majumdar S; Center for Clinical Pharmacology, University of Health Sciences & Pharmacy at St. Louis and Washington University School of Medicine, St. Louis, Missouri 63110, United States.; Department of Anesthesiology, Washington University School of Medicine, St. Louis, Missouri 63110, United States.

Publikováno v: ACS chemical neuroscience [ACS Chem Neurosci] 2021 Jul 21; Vol. 12 (14), pp. 2661-2678. Date of Electronic Publication: 2021 Jul 02.