D. Hurst

发表

One for the Price of Two…Are Bivalent Ligands Targeting Cannabinoid Receptor Dimers Capable of Simultaneously Binding to both Receptors?

M. Glass, J. Flanagan, Karan Govindpani, 2016, Trends in pharmacological sciences.

Models of Cannabinoid Inverse Agonism, Neutral Antagonism, and Agonism: Tools for Rational Drug Design

D. Hurst, P. Reggio, 2009 .

N-(piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide (SR141716A) interaction with LYS 3.28(192) is crucial for its inverse agonism at the cannabinoid CB1 receptor.

D. Lynch, D. Hurst, P. Reggio, 2002, Molecular pharmacology.

Methods for the Development of In Silico GPCR Models.

P. Morales, D. Hurst, P. Reggio, 2017, Methods in enzymology.

Molecular Dynamics Methodologies for Probing Cannabinoid Ligand/Receptor Interaction.

M. Pitman, Derek M. Shore, D. Lynch, 2017, Methods in enzymology.

Structure-activity relationships for 1-alkyl-3-(1-naphthoyl)indoles at the cannabinoid CB(1) and CB(2) receptors: steric and electronic effects of naphthoyl substituents. New highly selective CB(2) receptor agonists.

G. Hynd, D. Selley, Ming-Jung Wu, 2005, Bioorganic & medicinal chemistry.

Design, synthesis and biological evaluation of GPR55 agonists.

M. Caron, D. Hurst, P. Reggio, 2017, Bioorganic & medicinal chemistry.

Synthesis, Pharmacological Evaluation, and Docking Studies of Novel Pyridazinone‐Based Cannabinoid Receptor Type 2 Ligands

S. Merighi, S. Gessi, P. Morales, 2018, ChemMedChem.

Pregnenolone Can Protect the Brain from Cannabis Intoxication

P. Piazza, U. Spampinato, R. Maldonado, 2014, Science.

Mapping Cannabinoid 1 Receptor Allosteric Site(s): Critical Molecular Determinant and Signaling Profile of GAT100, a Novel, Potent, and Irreversibly Binding Probe.

G. Thakur, Abhijit R. Kulkarni, R. Pertwee, 2016, ACS chemical neuroscience.

3-Indolyl-1-naphthylmethanes: new cannabimimetic indoles provide evidence for aromatic stacking interactions with the CB(1) cannabinoid receptor.

Ming-Jung Wu, B. Martin, J. Wiley, 2003, Bioorganic & medicinal chemistry.

( R)- N-(1-Methyl-2-hydroxyethyl)-13-( S)-methyl-arachidonamide (AMG315): A Novel Chiral Potent Endocannabinoid Ligand with Stability to Metabolizing Enzymes.

K. Mackie, L. Marnett, A. Hohmann, 2018, Journal of medicinal chemistry.

The NPXXY Motif Regulates β-Arrestin Recruitment by the CB1 Cannabinoid Receptor.

S. Schulz, D. Tilley, Luciana M. Leo, 2022, Cannabis and cannabinoid research.

Identification of CB1 Receptor Allosteric Sites Using Force-Biased MMC Simulated Annealing and Validation by Structure-Activity Relationship Studies.

Sumanta Garai, G. Thakur, D. Hurst, 2019, ACS medicinal chemistry letters.

Identi ﬁ cation of CB1 Receptor Allosteric Sites Using Force-Biased MMC Simulated Annealing and Validation by Structure − Activity Relationship Studies

Sumanta Garai, G. Thakur, D. Hurst, 2019 .

A dual substrate kinetic model for cytochrome P450BM3-F87G catalysis: simultaneous binding of long chain aldehydes and 4-fluorophenol

Ghalib Khan, G. Raner, D. Hurst, 2017, Biotechnology Letters.

The Nucleotide-Free State of the Cannabinoid CB2/Gi Complex

D. Lynch, D. Hurst, P. Reggio, 2020, Cell.

Synthesis and pharmacology of 1-methoxy analogs of CP-47,497.

B. Martin, J. Wiley, D. Hurst, 2010, Bioorganic & medicinal chemistry.

Pharmacological evaluation of enantiomerically separated positive allosteric modulators of cannabinoid 1 receptor, GAT591 and GAT593

Sumanta Garai, G. Thakur, R. Pertwee, 2022, Frontiers in Pharmacology.

Synthesis, pharmacological evaluation and docking studies of pyrrole structure-based CB2 receptor antagonists.

M. García-Arencibia, J. Fernández-Ruiz, P. Morales, 2015, European journal of medicinal chemistry.

Adamantyl cannabinoids: a novel class of cannabinergic ligands.

J. Deschamps, C. George, G. Thakur, 2005, Journal of medicinal chemistry.

Ligand-binding architecture of human CB2 cannabinoid receptor: evidence for receptor subtype-specific binding motif and modeling GPCR activation.

Alexandros Makriyannis, Patricia H Reggio, David R Janero, 2008, Chemistry & biology.

Chromenopyrazole, a Versatile Cannabinoid Scaffold with in Vivo Activity in a Model of Multiple Sclerosis.

R. Franco, Gemma Navarro, C. Guaza, 2016, Journal of medicinal chemistry.

Chromenopyrazoles: Non‐psychoactive and Selective CB1 Cannabinoid Agonists with Peripheral Antinociceptive Properties

J. Cumella, J. Fernández-Ruiz, P. Morales, 2012, ChemMedChem.

Molecular-interaction and signaling profiles of AM3677, a novel covalent agonist selective for the cannabinoid 1 receptor.

K. Mackie, A. Makriyannis, L. Bohn, 2015, ACS chemical neuroscience.

Thienopyrimidine Derivatives as GPR55 Receptor Antagonists: Insight into Structure–Activity Relationship

J. Fernández-Ruiz, P. Morales, D. Hurst, 2022, ACS medicinal chemistry letters.

Biarylpyrazole inverse agonists at the cannabinoid CB1 receptor: importance of the C-3 carboxamide oxygen/lysine3.28(192) interaction.

S. McAllister, Daniel Fleischer, D. Lynch, 2006, Journal of medicinal chemistry.

Design, synthesis, and evaluation of substituted alkylindoles that activate G protein-coupled receptors distinct from the cannabinoid CB1 and CB2 receptors.

A. Howlett, N. Stella, D. Hurst, 2023, European journal of medicinal chemistry.

The bioactive conformation of aminoalkylindoles at the cannabinoid CB1 and CB2 receptors: insights gained from (E)- and (Z)-naphthylidene indenes.

B. Thomas, R. Pertwee, B F Thomas, 1998, Journal of medicinal chemistry.

An aromatic microdomain at the cannabinoid CB(1) receptor constitutes an agonist/inverse agonist binding region.

Mary E Abood, Sharon Anavi-Goffer, Dow P Hurst, 2003, Journal of medicinal chemistry.

Identification of Crucial Amino Acid Residues Involved in Agonist Signaling at the GPR55 Receptor.

D. Hurst, P. Reggio, M. Abood, 2017, Biochemistry.

Identification of the GPR55 antagonist binding site using a novel set of high-potency GPR55 selective ligands.

M. Caron, T. Chung, Yushi Bai, 2011, Biochemistry.

Isolation, semisynthesis, covalent docking and transforming growth factor beta-activated kinase 1 (TAK1)-inhibitory activities of (5Z)-7-oxozeaenol analogues.

Nicholas H Oberlies, Dow P Hurst, Patricia H Reggio, 2015, Bioorganic & medicinal chemistry.

Exploration of biologically relevant conformations of anandamide, 2-arachidonylglycerol, and their analogues using conformational memories.

F Guarnieri, F. Guarnieri, D. Hurst, 1998, Journal of medicinal chemistry.

GPR6 Structural Insights: Homology Model Construction and Docking Studies

Israa H Isawi, Paula Morales, Noori Sotudeh, 2020, Molecules.

Towards A Molecular Understanding of The Cannabinoid Related Orphan Receptor GPR18: A Focus on Its Constitutive Activity

P. Morales, D. Lynch, D. Hurst, 2019, International journal of molecular sciences.

A Lipid Pathway for Ligand Binding Is Necessary for a Cannabinoid G Protein-coupled Receptor*

Tod D Romo, Alan Grossfield, Dow P Hurst, 2010, The Journal of Biological Chemistry.

Conformational memories with variable bond angles

Robert M. Whitnell, Patricia H. Reggio, Dow P. Hurst, 2008, J. Comput. Chem..

Cysteine 2.59(89) in the Second Transmembrane Domain of Human CB2 Receptor Is Accessible within the Ligand Binding Crevice: Evidence for Possible CB2 Deviation from a Rhodopsin Template

D. Hurst, P. Reggio, J. Barnett-Norris, 2005, Molecular Pharmacology.

Structural Mimicry in Class A G Protein-coupled Receptor Rotamer Toggle Switches

S. McAllister, D. Lynch, D. Hurst, 2004, Journal of Biological Chemistry.

Activation of the cannabinoid CB1 receptor may involve a W6 48/F3 36 rotamer toggle switch.

F Guarnieri, F. Guarnieri, D. Lynch, 2002, The journal of peptide research : official journal of the American Peptide Society.

Agonist alkyl tail interaction with cannabinoid CB1 receptor V6.43/I6.46 groove induces a helix 6 active conformation

J. Ballesteros, F. Guarnieri, D. Hurst, 2002 .

Molecular Targets of the Phytocannabinoids: A Complex Picture.

P. Morales, D. Hurst, P. Reggio, 2017, Progress in the chemistry of organic natural products.

Up in Smoke: Uncovering a Lack of Evidence for Proton Pump Inhibitors as a Source of Tetrahydrocannabinol Immunoassay False Positives

Frederick G. Strathmann, D. Hurst, J. Powers, 2018, Pain medicine.

Palmitoylation and membrane cholesterol stabilize μ-opioid receptor homodimerization and G protein coupling

H. Loh, P. Law, Yali Zhou, 2012, BMC Cell Biology.

The Difference between the CB1 and CB2Cannabinoid Receptors at Position 5.46 Is Crucial for the Selectivity of WIN55212-2 for CB2

Patricia H. Reggio, Dow P. Hurst, D. Hurst, 1999 .

Identification of the GPR55 agonist binding site using a novel set of high-potency GPR55 selective ligands.

M. Caron, T. Chung, Yushi Bai, 2011, Biochemistry.

Endogenous lipid activated G protein-coupled receptors: emerging structural features from crystallography and molecular dynamics simulations.

D. Hurst, P. Reggio, Marianne G. Schmeisser, 2013, Chemistry and physics of lipids.

Therapeutic Exploitation of GPR18: Beyond the Cannabinoids?

E. Brǎiloiu, P. Morales, D. Hurst, 2020, Journal of medicinal chemistry.

Endocannabinoids: Molecular, Pharmacological, Behavioral and Clinical Features

Benjamin J. Whalley, M. Pistis, M. Melis, 2018 .

Residues accessible in the binding-site crevice of transmembrane helix 6 of the CB2 cannabinoid receptor.

Dow P Hurst, Patricia H Reggio, N. M. Nebane, 2008, Biochemistry.

CB2-Selective Cannabinoid Receptor Ligands: Synthesis, Pharmacological Evaluation, and Molecular Modeling Investigation of 1,8-Naphthyridin-2(1H)-one-3-carboxamides

Brandie M. Ehrmann, V. Di Marzo, A. Ligresti, 2014, Journal of medicinal chemistry.

Mutation Studies of Ser7.39 and Ser2.60 in the Human CB1 Cannabinoid Receptor: Evidence for a Serine-Induced Bend in CB1 Transmembrane Helix 7

Daniel Fleischer, Mary E Abood, Alexandros Makriyannis, 2007, Molecular Pharmacology.

Analogs of JHU75528, a PET ligand for imaging of cerebral cannabinoid receptors (CB1): development of ligands with optimized lipophilicity and binding affinity.

D. Holt, A. Hoffman, C. Lupica, 2009, European journal of medicinal chemistry.

Role of a conserved lysine residue in the peripheral cannabinoid receptor (CB2): evidence for subtype specificity.

J. Andreassi, S. McAllister, G. Cabral, 1999, Molecular pharmacology.

The difference between the CB(1) and CB(2) cannabinoid receptors at position 5.46 is crucial for the selectivity of WIN55212-2 for CB(2).

D. Hurst, P. Reggio, D P Hurst, 1999, Molecular pharmacology.

A Closer Look at Anandamide Interaction With TRPV1

D. Lynch, D. Hurst, P. Reggio, 2020, Frontiers in Molecular Biosciences.

Global Fold of Human Cannabinoid Type 2 Receptor Probed by Solid-State NMR and Molecular Dynamics Simulations

M. Pitman, K. Gawrisch, A. Grossfield, 2015 .

Conformational memories and the endocannabinoid binding site at the cannabinoid CB1 receptor.

F. Guarnieri, A. Makriyannis, D. Lynch, 2002, Journal of medicinal chemistry.

Enhanced Functional Activity of the Cannabinoid Type-1 Receptor Mediates Adolescent Behavior

R. Spanagel, O. Manzoni, B. Lutz, 2015, The Journal of Neuroscience.

The importance of hydrogen bonding and aromatic stacking to the affinity and efficacy of cannabinoid receptor CB2 antagonist, 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboxamide (SR144528).

Evangelia Kotsikorou, Herbert H Seltzman, Dow P Hurst, 2013, Journal of medicinal chemistry.

Design, synthesis, and analysis of antagonists of GPR55: Piperidine-substituted 1,3,4-oxadiazol-2-ones.

M. Caron, M. E. Meza-Aviña, T. Gamage, 2016, Bioorganic & medicinal chemistry letters.

Helix 8 Leu in the CB1 Cannabinoid Receptor Contributes to Selective Signal Transduction Mechanisms*

A. Howlett, Daniel Fleischer, D. Lynch, 2007, Journal of Biological Chemistry.

Discovery of a Biased Allosteric Modulator for Cannabinoid 1 Receptor: Preclinical Anti-Glaucoma Efficacy.

J. Deschamps, S. Schulz, Sumanta Garai, 2021, Journal of medicinal chemistry.

Structural Basis of G Protein-coupled Receptor-Gi Protein Interaction

Alan Grossfield, Nicholas Leioatts, Dow P Hurst, 2014, The Journal of Biological Chemistry.

TRPV1 Activation by Anandamide via a Unique Lipid Pathway

Diane L. Lynch, Patricia H. Reggio, Dow P. Hurst, 2021, J. Chem. Inf. Model..

Probing the Carboxyester Side Chain in Controlled Deactivation (−)-Δ8-Tetrahydrocannabinols

Rishi Sharma, S. Nikas, A. Makriyannis, 2014, Journal of medicinal chemistry.

Application of Fluorine- And Nitrogen-Walk Approaches: Defining the Structural and Functional Diversity of 2-Phenylindole Class of CB1 Receptor Positive Allosteric Modulators.

K. Mackie, A. Hohmann, Sumanta Garai, 2019, Journal of medicinal chemistry.

(4-(Bis(4-Fluorophenyl)Methyl)Piperazin-1-yl)(Cyclohexyl)Methanone Hydrochloride (LDK1229): A New Cannabinoid CB1 Receptor Inverse Agonist from the Class of Benzhydryl Piperazine Analogs

Derek M. Shore, D. Hurst, P. Reggio, 2015, Molecular Pharmacology.

Crucial Positively Charged Residues for Ligand Activation of the GPR35 Receptor*

E. Brǎiloiu, Helen G. L. Gao, D. Hurst, 2013, The Journal of Biological Chemistry.

Ligand Activation of the GPR 35 Receptor Crucial Positively Charged Residues for Signal Transduction :

E. Brǎiloiu, Helen G. L. Gao, D. Hurst, 2014 .

Palmitoylation and membrane cholesterol stabilize μ-opioid receptor homodimerization and G protein coupling

H. Loh, P. Law, Yali Zhou, 2012, BMC Cell Biology.

A critical role for a tyrosine residue in the cannabinoid receptors for ligand recognition.

F. Guarnieri, S. McAllister, G. Cabral, 2002, Biochemical pharmacology.

One for the Price of Two…Are Bivalent Ligands Targeting Cannabinoid Receptor Dimers Capable of Simultaneously Binding to both Receptors?

M. Glass, J. Flanagan, Karan Govindpani, 2016, TIPS - Trends in Pharmacological Sciences.

D. Lynch, D. Hurst, P. Reggio, 2002, Molecular Pharmacology.

Structural Insights from Recent CB1 X-Ray Crystal Structures

D. Hurst, P. Reggio, Rufaida M. Al-Zoubi, 2018, Recent Advances in Cannabinoid Research.

Probing the Carboxyester Side Chain in Controlled Deactivation (−)-Δ8-Tetrahydrocannabinols

Rishi Sharma, S. Nikas, A. Makriyannis, 2014, Journal of medicinal chemistry.

Global fold of human cannabinoid type 2 receptor probed by solid‐state 13C‐, 15N‐MAS NMR and molecular dynamics simulations

M. Pitman, K. Gawrisch, A. Grossfield, 2014, Proteins.

Identification of the GPR55 agonist binding site using a novel set of high-potency GPR55 selective ligands.

M. Caron, T. Chung, Yushi Bai, 2011, Biochemistry.

(-)-7′-Isothiocyanato-11-hydroxy-1′,1′-dimethylheptylhexahydrocannabinol (AM841), a High-Affinity Electrophilic Ligand, Interacts Covalently with a Cysteine in Helix Six and Activates the CB1 Cannabinoid Receptor

A. Makriyannis, W. Xu, G. Thakur, 2005, Molecular Pharmacology.