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• 2020

  A biased adenosine A1R agonist elicits analgesia without cardiorespiratory depression

  Wall, M. J., Hill, E., Huckstepp, R., Barkan, K., Deganutti, G., Leuenberger, M., Preti, B., Winfield, I., Wei, H., Imlach, W., Dean, E., Hume, C., Hayward, S., Oliver, J., Zhao, F-Y., Spanswick, D., Reynolds, C. A., Lochner, M., Ladds, G. & Frenguelli, B. G., 5 Apr 2020, bioRxiv.

  Research output: Other contribution

  • G-Protein-Coupled Receptors
  • Adenosine
  • Analgesia
  • Arrestin
  • Adenosine A1 Receptors

• Activation of the GLP-1 receptor by a non-peptidic agonist

  Zhao, P., Liang, Y. L., Belousoff, M. J., Deganutti, G., Fletcher, M. M., Willard, F. S., Bell, M. G., Christe, M. E., Sloop, K. W., Inoue, A., Truong, T. T., Clydesdale, L., Furness, S. G. B., Christopoulos, A., Wang, M. W., Miller, L. J., Reynolds, C. A., Danev, R., Sexton, P. M. & Wootten, D., 16 Jan 2020, In: Nature. 577, 7790, p. 432-436 5 p.

  Research output: Contribution to journal › Article › peer-review

  • Glucagon-Like Peptide-1 Receptor
  • GTP-Binding Proteins
  • Kinetics
  • Peptide Receptors
  • Detergents
  23 Citations (Scopus)

• Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamics

  Atanasio, S., Deganutti, G. & Reynolds, C. A., Nov 2020, In: Journal of Computer-Aided Molecular Design. 34, 11, p. 1181–1193 13 p.

  Research output: Contribution to journal › Article › peer-review

  • fatty acids
  • Fatty acids
  • Molecular Dynamics Simulation
  • Molecular dynamics
  • Nonesterified Fatty Acids
  1 Citation (Scopus)

• A Multisite Model of Allosterism for the Adenosine A1 Receptor

  Deganutti, G., Barkan, K., Ladds, G. & Reynolds, C. A., 14 Oct 2020, bioRxiv.

  Research output: Other contribution

  Open Access

• A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein Unbinding

  Deganutti, G., Moro, S. & Reynolds, C. A., 23 Mar 2020, In: Journal of Chemical Information and Modeling. 60, 3, p. 1804–1817 14 p.

  Research output: Contribution to journal › Article › peer-review

  • Ligands
  • Molecular dynamics
  • Proteins
  • chemistry
  • energy
  3 Citations (Scopus)

• Deciphering the Agonist Binding Mechanism to the Adenosine A1 Receptor

  Deganutti, G., Barkan, K., Preti, B., Leuenberger, M., Wall, M., Frenguelli, B., Lochner, M., Ladds, G. & Reynolds, C. A., 22 Oct 2020, bioRxiv.

  Research output: Other contribution

  Open Access

  • Adenosine A1 Receptors
  • Drug Design
  • regadenoson
  • N(6)-cyclopentyladenosine
  • Purinergic P1 Receptors

• Identification of Small-Molecule Positive Modulators of Calcitonin-like Receptor-Based Receptors

  Hendrikse, E. R., Liew, L. P., Bower, R. L., Bonnet, M., Jamaluddin, M. A., Prodan, N., Richards, K. D., Walker, C. S., Pairaudeau, G., Smith, D. M., Rujan, R. M., Sudra, R., Reynolds, C. A., Booe, J. M., Pioszak, A. A., Flanagan, J. U., Hay, M. P. & Hay, D. L., 10 Apr 2020, In: ACS Pharmacology and Translational Science. 3, 2, p. 305-320 16 p.

  Research output: Contribution to journal › Article › peer-review

  • Calcitonin Receptor-Like Protein
  • Calcitonin Receptors
  • Receptor Activity-Modifying Proteins
  • Binding Sites
  • Adrenomedullin Receptors
  2 Citations (Scopus)

• Peptidomimetic-based approach toward inhibitors of microbial trimethylamine lyases

  Gabr, M. T., Deganutti, G. & Reynolds, C. A., 9 Aug 2020, In: Chemical Biology and Drug Design. (In-Press), p. (In-Press)

  Research output: Contribution to journal › Article › peer-review

  • trimethylamine
  • Peptidomimetics
  • Lyases
  • Bacteria
  • Molecules

• Rational development of a high-affinity secretin receptor antagonist

  Dong, M., Harikumar, K. G., Raval, S. R., Milburn, J. E., Clark, C., Alcala-Torano, R., Mobarec, J. C., Reynolds, C. A., Ghirlanda, G., Christopoulos, A., Wootten, D., Sexton, P. M. & Miller, L. J., Jul 2020, In: Biochemical Pharmacology. 177, 113929.

  Research output: Contribution to journal › Article › peer-review

  • secretin receptor
  • Bioactivity
  • Peptides
  • cyclohexylalanine
  • Ligands
  1 Citation (Scopus)

• Structure and Dynamics of Adrenomedullin Receptors AM₁ and AM₂ Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins

  Liang, Y. L., Belousoff, M. J., Fletcher, M. M., Zhang, X., Khoshouei, M., Deganutti, G., Koole, C., Furness, S. G. B., Miller, L. J., Hay, D. L., Christopoulos, A., Reynolds, C. A., Danev, R., Wootten, D. & Sexton, P. M., 10 Apr 2020, In: ACS Pharmacology and Translational Science. 3, 2, p. 263-284 22 p.

  Research output: Contribution to journal › Article › peer-review

  • Receptor Activity-Modifying Proteins
  • Adrenomedullin Receptors
  • Adrenomedullin
  • Calcitonin Receptor-Like Protein
  • Calcitonin Gene-Related Peptide Receptors
  13 Citations (Scopus)

• Structure and dynamics of the active Gs-coupled human secretin receptor

  Dong, M., Deganutti, G., Piper, S. J., Liang, Y. L., Khoshouei, M., Belousoff, M. J., Harikumar, K. G., Reynolds, C. A., Glukhova, A., Furness, S. G. B., Christopoulos, A., Danev, R., Wootten, D., Sexton, P. M. & Miller, L. J., 18 Aug 2020, In: Nature Communications. 11, 17 p., 4137.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • secretin receptor
  • Secretin
  • peptides
  • metabolic diseases
  • Cryoelectron Microscopy
  2 Citations (Scopus)

  12 Downloads (Pure)

• Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike protein

  Deganutti, G., Prischi, F. & Reynolds, C. A., 26 Oct 2020, In: Journal of Computer-Aided Molecular Design. (In-Press), p. (In-Press)

  Research output: Contribution to journal › Article › peer-review

  • SARS Virus
  • Coronavirus
  • Molecular Dynamics Simulation
  • Molecular dynamics
  • spikes
  1 Citation (Scopus)

• Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike protein

  Deganutti, G., Prischi, F. & Reynolds, C. A., 26 Aug 2020, Research Square.

  Research output: Other contribution

  Open Access

  • SARS Virus
  • Coronavirus
  • Molecular Dynamics Simulation
  • Cefsulodin
  • Drug Repositioning
• 2019

  Calcitonin gene-related peptide antagonists and therapeutic antibodies

  Rujan, R. M. & Reynolds, C. A., 1 Jan 2019, Handbook of Experimental Pharmacology. Brain, S. & Geppetti, P. (eds.). Springer New York LLC, Vol. 255. p. 169-192 24 p. (Handbook of Experimental Pharmacology; vol. 255).

  Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

  • Calcitonin Gene-Related Peptide
  • Calcitonin Gene-Related Peptide Receptors
  • Antibodies
  • Migraine Disorders
  • Molecules
  3 Citations (Scopus)

• Deconvoluting the molecular control of binding and signaling at the amylin 3 receptor: RAMP3 alters signal propagation through extracellular loops of the calcitonin receptor

  Pham, V., Zhu, Y., Dal Maso, E., Reynolds, C. A., Deganutti, G., Atanasio, S., Hick, C. A., Yang, D., Christopoulos, A., Hay, D. L., Furness, S. G. B., Wang, M. W., Wootten, D. & Sexton, P. M., 14 Jun 2019, In: ACS Pharmacology and Translational Science. 2, 3, p. 183-197 15 p.

  Research output: Contribution to journal › Article › peer-review

  • Receptor Activity-Modifying Protein 3
  • Islet Amyloid Polypeptide Receptor
  • Calcitonin Receptors
  • Calcitonin
  • Peptides
  5 Citations (Scopus)

• Peeking at G-protein-coupled receptors through the molecular dynamics keyhole

  Deganutti, G., Moro, S. & Reynolds, C. A., Mar 2019, In: Future Medicinal Chemistry. 11, 6, p. 599-610 12 p.

  Research output: Contribution to journal › Review article › peer-review

  Open Access

  File

  • Molecular Dynamics Simulation
  • G-Protein-Coupled Receptors
  • Biophysics
  • Membrane Proteins
  • Ligands
  5 Citations (Scopus)

  2 Downloads (Pure)

• The Molecular Control of Calcitonin Receptor Signaling

  Dal Maso, E., Glukhova, A., Zhu, Y., Garcia-Nafria, J., Tate, C. G., Atanasio, S., Reynolds, C. A., Ramírez-Aportela, E., Carazo, J. M., Hick, C. A., Furness, S. G. B., Hay, D. L., Liang, Y. L., Miller, L. J., Christopoulos, A., Wang, M. W., Wootten, D. & Sexton, P. M., 8 Feb 2019, In: ACS Pharmacology and Translational Science. 2, 1, p. 31-51 21 p.

  Research output: Contribution to journal › Article › peer-review

  • Calcitonin Receptors
  • Mutagenesis
  • Calcitonin
  • Alanine
  • G-Protein-Coupled Receptors
  19 Citations (Scopus)
• 2018

  Cryo-EM structure of the active, G _s -protein complexed, human CGRP receptor

  Liang, Y. L., Khoshouei, M., Deganutti, G., Glukhova, A., Koole, C., Peat, T. S., Radjainia, M., Plitzko, J. M., Baumeister, W., Miller, L. J., Hay, D. L., Christopoulos, A., Reynolds, C. A., Wootten, D. & Sexton, P. M., 12 Sep 2018, In: Nature. 561, 7724, p. 492-497 6 p.

  Research output: Contribution to journal › Article › peer-review

  • Calcitonin Receptor-Like Protein
  • Calcitonin Gene-Related Peptide Receptors
  • Receptor Activity-Modifying Protein 1
  • Calcitonin Gene-Related Peptide
  • Protein Domains
  86 Citations (Scopus)

• Extracellular loops 2 and 3 of the calcitonin receptor selectively modify agonist binding and efficacy

  Dal Maso, E., Zhu, Y., Pham, V., Reynolds, C. A., Deganutti, G., Hick, C. A., Yang, D., Christopoulos, A., Hay, D. L., Wang, M. W., Sexton, P. M., Furness, S. G. B. & Wootten, D., Apr 2018, In: Biochemical Pharmacology. 150, p. 214-244 31 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Calcitonin Receptors
  • Glucagon-Like Peptide-1 Receptor
  • Peptide Receptors
  • Peptides
  • Chemical activation
  16 Citations (Scopus)

• Molecular Signature for Receptor Engagement in the Metabolic Peptide Hormone Amylin

  Bower, R. L., Yule, L., Rees, T. A., Deganutti, G., Hendrikse, E. R., Harris, P. W. R., Kowalczyk, R., Ridgway, Z., Wong, A. G., Swierkula, K., Raleigh, D. P., Pioszak, A. A., Brimble, M. A., Reynolds, C. A., Walker, C. S. & Hay, D. L., 14 Sep 2018, In: ACS Pharmacology and Translational Science. 1, 1, p. 32-49 18 p.

  Research output: Contribution to journal › Article › peer-review

  • Islet Amyloid Polypeptide
  • Peptide Hormones
  • Peptides
  • Glucagon-Like Peptide 1
  • Molecular Dynamics Simulation
  18 Citations (Scopus)

• Photoaffinity cross-linking and unnatural amino acid mutagenesis reveal insights into calcitonin gene-related peptide binding to the calcitonin receptor-like receptor/receptor activity-modifying protein 1 (CLR/RAMP1) complex

  Simms, J., Uddin, R., Sakmar, T. P., Gingell, J. J., Garelja, M. L., Hay, D. L., Brimble, M. A., Harris, P. W. R., Reynolds, C. A. & Poyner, D. R., 14 Aug 2018, In: Biochemistry. 57, 32, p. 4915-4922 8 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Receptor Activity-Modifying Protein 1
  • Calcitonin Receptor-Like Protein
  • Mutagenesis
  • Calcitonin Gene-Related Peptide
  • Amino Acids
  10 Citations (Scopus)

  49 Downloads (Pure)
• 2017

  Genetically encoded photocross-linkers determine the biological binding site of exendin-4 peptide in the N-terminal domain of the intact human glucagon-like peptide-1 receptor (GLP-1R)

  Koole, C., Reynolds, C. A., Mobarec, J. C., Hick, C., Sexton, P. M. & Sakmar, T. P., 28 Apr 2017, In: Journal of Biological Chemistry. 292, 17, p. 7131-7144 14 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Exenatide
  • Glucagon-Like Peptide-1 Receptor
  • Peptide Receptors
  • Binding Sites
  • Crystal structure
  28 Citations (Scopus)

  2 Downloads (Pure)

• High affinity binding of the peptide agonist TIP-39 to the parathyroid hormone 2 (PTH₂) receptor requires the hydroxyl group of Tyr-318 on transmembrane helix 5

  Weaver, R. E., Mobarec, J. C., Wigglesworth, M. J., Reynolds, C. A. & Donnelly, D., 1 Mar 2017, In: Biochemical Pharmacology. 127, p. 71-81 11 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • AP301 peptide
  • tuberoinfundibular peptide 39
  • Receptor, Parathyroid Hormone, Type 2
  • Hydroxyl Radical
  • Peptides
  5 Citations (Scopus)

  2 Downloads (Pure)
• 2016

  A Hydrogen-Bonded Polar Network in the Core of the Glucagon-Like Peptide-1 Receptor Is a Fulcrum for Biased Agonism: Lessons from Class B Crystal Structures

  Wootten, D., Reynolds, C. A., Koole, C., Smith, K. J., Mobarec, J. C., Simms, J., Quon, T., Coudrat, T., Furness, S. G. B., Miller, L. J., Christopoulos, A. & Sexton, P. M., Mar 2016, In: Molecular Pharmacology. 89, 3, p. 335-347 13 p.

  Research output: Contribution to journal › Article › peer-review

  • Glucagon-Like Peptide-1 Receptor
  • Hydrogen
  • Peptides
  • glucagon releasing peptide
  • Oxyntomodulin
  34 Citations (Scopus)

• Erratum: Receptor activity-modifying protein-directed G protein signaling specificity for the calcitonin gene-related peptide family of receptors (Journal of Biological Chemistry (2016) 291 (21925-21944) DOI: 10.1074/jbc.M116.751362)

  Weston, C., Winfield, I., Harris, M., Hodgson, R., Shah, A., Dowell, S. J., Mobarec, J. C., Woodcock, D. A., Reynolds, C. A., Poyner, D. R., Watkins, H. A. & Ladds, G., 2 Dec 2016, In: Journal of Biological Chemistry. 291, 49, 1 p., 21925.

  Research output: Contribution to journal › Comment/debate › peer-review

  • Receptor Activity-Modifying Proteins
  • Calcitonin Gene-Related Peptide Receptors
  • Calcitonin Gene-Related Peptide
  • GTP-Binding Proteins
  5 Citations (Scopus)

• Key interactions by conserved polar amino acids located at the transmembrane helical boundaries in Class B GPCRs modulate activation, effector specificity and biased signalling in the glucagon-like peptide-1 receptor

  Wootten, D., Reynolds, C. A., Smith, K. J., Mobarec, J. C., Furness, S. G. B., Miller, L. J., Christopoulos, A. & Sexton, P. M., 15 Oct 2016, In: Biochemical Pharmacology. 118, p. 68-87 20 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Glucagon-Like Peptide-1 Receptor
  • Chemical activation
  • Amino Acids
  • Mutagenesis
  • Cell signaling
  25 Citations (Scopus)

  1 Downloads (Pure)

• Receptor activity-modifying protein-directed G protein signaling specificity for the calcitonin gene-related peptide family of receptors

  Weston, C., Winfield, I., Harris, M., Hodgson, R., Shah, A., Dowell, S. J., Mobarec, J. C., Woodlock, D. A., Reynolds, C. A., Poyner, D. R., Watkins, H. A. & Ladds, G., 14 Oct 2016, In: Journal of Biological Chemistry. 291, 42, p. 21925-21944 20 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Receptor Activity-Modifying Proteins
  • Calcitonin Gene-Related Peptide Receptors
  • Calcitonin Gene-Related Peptide
  • GTP-Binding Proteins
  • Calcitonin Receptor-Like Protein
  37 Citations (Scopus)

  1 Downloads (Pure)

• Receptor activity-modifying proteins; multifunctional G protein-coupled receptor accessory proteins

  Hay, D. L., Walker, C. S., Gingell, J. J., Ladds, G., Reynolds, C. A. & Poyner, D. R., 11 Apr 2016, In: Biochemical Society Transactions. 44, 2, p. 568-573 6 p.

  Research output: Contribution to journal › Review article › peer-review

  • Receptor Activity-Modifying Proteins
  • G-Protein-Coupled Receptors
  • Calcitonin Receptor-Like Protein
  • Proteins
  • Drug Delivery Systems
  22 Citations (Scopus)

• Receptor activity-modifying proteins 2 and 3 generate adrenomedullin receptor subtypes with distinct molecular properties

  Watkins, H. A., Chakravarthy, M., Abhayawardana, R. S., Gingell, J. J., Garelja, M., Pardamwar, M., McElhinney, J. M. W. R., Lathbridge, A., Constantine, A., Harris, P. W. R., Yuen, T. Y., Brimble, M. A., Barwell, J., Poyner, D. R., Woolley, M. J., Conner, A. C., Pioszak, A. A., Reynolds, C. A. & Hay, D. L., 27 May 2016, In: Journal of Biological Chemistry. 291, 22, p. 11657-11675 19 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Receptor Activity-Modifying Protein 3
  • Receptor Activity-Modifying Protein 2
  • Calcitonin Receptor-Like Protein
  • Adrenomedullin Receptors
  • Adrenomedullin
  29 Citations (Scopus)

  4 Downloads (Pure)

• The Extracellular Surface of the GLP-1 Receptor Is a Molecular Trigger for Biased Agonism

  Wootten, D., Reynolds, C. A., Smith, K. J., Mobarec, J. C., Koole, C., Savage, E. E., Pabreja, K., Simms, J., Sridhar, R., Furness, S. G. B., Liu, M., Thompson, P. E., Miller, L. J., Christopoulos, A. & Sexton, P. M., 16 Jun 2016, In: Cell. 165, 7, p. 1632-1643 12 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Glucagon-Like Peptide-1 Receptor
  • Ligands
  • Chemical activation
  • Peptides
  • G-Protein-Coupled Receptors
  73 Citations (Scopus)

  8 Downloads (Pure)