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For: Heifetz A, Morris GB, Biggin PC, Barker O, Fryatt T, Bentley J, Hallett D, Manikowski D, Pal S, Reifegerste R, Slack M, Law R. Study of Human Orexin-1 and -2 G-Protein-Coupled Receptors with Novel and Published Antagonists by Modeling, Molecular Dynamics Simulations, and Site-Directed Mutagenesis. Biochemistry 2012;51:3178-97. [DOI: 10.1021/bi300136h] [Cited by in Crossref: 31] [Cited by in F6Publishing: 29] [Article Influence: 3.1] [Reference Citation Analysis]
Number Citing Articles
1 Thompson MD, Sakurai T, Rainero I, Maj MC, Kukkonen JP. Orexin Receptor Multimerization versus Functional Interactions: Neuropharmacological Implications for Opioid and Cannabinoid Signalling and Pharmacogenetics. Pharmaceuticals (Basel) 2017;10:E79. [PMID: 28991183 DOI: 10.3390/ph10040079] [Cited by in Crossref: 25] [Cited by in F6Publishing: 23] [Article Influence: 5.0] [Reference Citation Analysis]
2 Meneguetti BT, Cardoso MH, Ribeiro CF, Felício MR, Pinto IB, Santos NC, Carvalho CM, Franco OL. Neuropeptide receptors as potential pharmacological targets for obesity. Pharmacology & Therapeutics 2019;196:59-78. [DOI: 10.1016/j.pharmthera.2018.11.002] [Cited by in Crossref: 5] [Cited by in F6Publishing: 5] [Article Influence: 1.7] [Reference Citation Analysis]
3 Heidmann B, Gatfield J, Roch C, Treiber A, Tortoioli S, Brotschi C, Williams JT, Bolli MH, Abele S, Sifferlen T, Jenck F, Boss C. Discovery of Highly Potent Dual Orexin Receptor Antagonists via a Scaffold-Hopping Approach. ChemMedChem 2016;11:2132-46. [DOI: 10.1002/cmdc.201600175] [Cited by in Crossref: 9] [Cited by in F6Publishing: 7] [Article Influence: 1.5] [Reference Citation Analysis]
4 Xu B, Fällmar H, Boukharta L, Pruner J, Lundell I, Mohell N, Gutiérrez-de-Terán H, Aqvist J, Larhammar D. Mutagenesis and computational modeling of human G-protein-coupled receptor Y2 for neuropeptide Y and peptide YY. Biochemistry 2013;52:7987-98. [PMID: 24111902 DOI: 10.1021/bi400830c] [Cited by in Crossref: 17] [Cited by in F6Publishing: 15] [Article Influence: 1.9] [Reference Citation Analysis]
5 Suno R, Kimura KT, Nakane T, Yamashita K, Wang J, Fujiwara T, Yamanaka Y, Im D, Horita S, Tsujimoto H, Tawaramoto MS, Hirokawa T, Nango E, Tono K, Kameshima T, Hatsui T, Joti Y, Yabashi M, Shimamoto K, Yamamoto M, Rosenbaum DM, Iwata S, Shimamura T, Kobayashi T. Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA. Structure 2018;26:7-19.e5. [DOI: 10.1016/j.str.2017.11.005] [Cited by in Crossref: 38] [Cited by in F6Publishing: 34] [Article Influence: 9.5] [Reference Citation Analysis]
6 Heifetz A, Barker O, Morris GB, Law RJ, Slack M, Biggin PC. Toward an understanding of agonist binding to human Orexin-1 and Orexin-2 receptors with G-protein-coupled receptor modeling and site-directed mutagenesis. Biochemistry 2013;52:8246-60. [PMID: 24144388 DOI: 10.1021/bi401119m] [Cited by in Crossref: 26] [Cited by in F6Publishing: 24] [Article Influence: 2.9] [Reference Citation Analysis]
7 Thompson MD, Xhaard H, Sakurai T, Rainero I, Kukkonen JP. OX1 and OX2 orexin/hypocretin receptor pharmacogenetics. Front Neurosci 2014;8:57. [PMID: 24834023 DOI: 10.3389/fnins.2014.00057] [Cited by in Crossref: 34] [Cited by in F6Publishing: 40] [Article Influence: 4.3] [Reference Citation Analysis]
8 Khoo SY, Brown RM. Orexin/hypocretin based pharmacotherapies for the treatment of addiction: DORA or SORA? CNS Drugs 2014;28:713-30. [PMID: 24942635 DOI: 10.1007/s40263-014-0179-x] [Cited by in Crossref: 42] [Cited by in F6Publishing: 37] [Article Influence: 6.0] [Reference Citation Analysis]
9 Lessel U, Ferrara M, Heine N, Marelli C, Carrettoni L, Pfau R, Schmidt E, Riether D. Identification of Highly Selective Orexin 1 Receptor Antagonists Driven by Structure-Based Design. J Chem Inf Model 2021;61:5893-905. [PMID: 34817173 DOI: 10.1021/acs.jcim.1c01055] [Reference Citation Analysis]
10 Sarukhanyan E, Shityakov S, Dandekar T. Rational Drug Design of Axl Tyrosine Kinase Type I Inhibitors as Promising Candidates Against Cancer. Front Chem 2019;7:920. [PMID: 32117858 DOI: 10.3389/fchem.2019.00920] [Cited by in Crossref: 6] [Cited by in F6Publishing: 4] [Article Influence: 3.0] [Reference Citation Analysis]
11 Watanabe H, Idoko Y, Iikuni S, Ide T, Shimizu Y, Nakamoto Y, Ono M. Synthesis and biological evaluation of novel 18F-labeled phenylbenzofuran-2-carboxamide derivative for detection of orexin 1 receptor in the brain. Bioorg Med Chem Lett 2021;43:128098. [PMID: 33984472 DOI: 10.1016/j.bmcl.2021.128098] [Reference Citation Analysis]
12 Kukkonen JP. Physiology of the orexinergic/hypocretinergic system: a revisit in 2012. Am J Physiol Cell Physiol 2013;304:C2-32. [PMID: 23034387 DOI: 10.1152/ajpcell.00227.2012] [Cited by in Crossref: 93] [Cited by in F6Publishing: 91] [Article Influence: 9.3] [Reference Citation Analysis]
13 Leonis G, Avramopoulos A, Salmas RE, Durdagi S, Yurtsever M, Papadopoulos MG. Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human κ-Opioid Receptor Complexes. J Chem Inf Model 2014;54:2294-308. [DOI: 10.1021/ci5002873] [Cited by in Crossref: 24] [Cited by in F6Publishing: 21] [Article Influence: 3.0] [Reference Citation Analysis]
14 Schultes S, Nijmeijer S, Engelhardt H, Kooistra AJ, Vischer HF, de Esch IJP, Haaksma EEJ, Leurs R, de Graaf C. Mapping histamine H 4 receptor–ligand binding modes. Med Chem Commun 2013;4:193-204. [DOI: 10.1039/c2md20212c] [Cited by in Crossref: 22] [Article Influence: 2.4] [Reference Citation Analysis]
15 Bai Q, Pérez-Sánchez H, Shi Z, Li L, Shi D, Liu H, Yao X. Computational studies on horseshoe shape pocket of human orexin receptor type 2 and boat conformation of suvorexant by molecular dynamics simulations. Chem Biol Drug Des 2018;92:1221-31. [PMID: 29450984 DOI: 10.1111/cbdd.13181] [Cited by in Crossref: 3] [Cited by in F6Publishing: 3] [Article Influence: 0.8] [Reference Citation Analysis]
16 Heifetz A, Storer RI, McMurray G, James T, Morao I, Aldeghi M, Bodkin MJ, Biggin PC. Application of an Integrated GPCR SAR-Modeling Platform To Explain the Activation Selectivity of Human 5-HT2C over 5-HT2B. ACS Chem Biol 2016;11:1372-82. [PMID: 26900768 DOI: 10.1021/acschembio.5b01045] [Cited by in Crossref: 11] [Cited by in F6Publishing: 9] [Article Influence: 1.8] [Reference Citation Analysis]
17 Heifetz A, Aldeghi M, Chudyk EI, Fedorov DG, Bodkin MJ, Biggin PC. Using the fragment molecular orbital method to investigate agonist-orexin-2 receptor interactions. Biochem Soc Trans 2016;44:574-81. [PMID: 27068972 DOI: 10.1042/BST20150250] [Cited by in Crossref: 22] [Cited by in F6Publishing: 8] [Article Influence: 3.7] [Reference Citation Analysis]
18 Heifetz A, Schertler GF, Seifert R, Tate CG, Sexton PM, Gurevich VV, Fourmy D, Cherezov V, Marshall FH, Storer RI, Moraes I, Tikhonova IG, Tautermann CS, Hunt P, Ceska T, Hodgson S, Bodkin MJ, Singh S, Law RJ, Biggin PC. GPCR structure, function, drug discovery and crystallography: report from Academia-Industry International Conference (UK Royal Society) Chicheley Hall, 1-2 September 2014. Naunyn Schmiedebergs Arch Pharmacol 2015;388:883-903. [PMID: 25772061 DOI: 10.1007/s00210-015-1111-8] [Cited by in Crossref: 27] [Cited by in F6Publishing: 25] [Article Influence: 3.9] [Reference Citation Analysis]
19 Gutiérrez-de-terán H, Bello X, Rodríguez D. Characterization of the dynamic events of GPCRs by automated computational simulations. Biochemical Society Transactions 2013;41:205-12. [DOI: 10.1042/bst20120287] [Cited by in Crossref: 33] [Cited by in F6Publishing: 14] [Article Influence: 3.7] [Reference Citation Analysis]
20 Perrey DA, Zhang Y. Therapeutics development for addiction: Orexin-1 receptor antagonists. Brain Res 2020;1731:145922. [PMID: 30148984 DOI: 10.1016/j.brainres.2018.08.025] [Cited by in Crossref: 22] [Cited by in F6Publishing: 23] [Article Influence: 5.5] [Reference Citation Analysis]
21 Turku A, Borrel A, Leino TO, Karhu L, Kukkonen JP, Xhaard H. Pharmacophore Model To Discover OX 1 and OX 2 Orexin Receptor Ligands. J Med Chem 2016;59:8263-75. [DOI: 10.1021/acs.jmedchem.6b00333] [Cited by in Crossref: 16] [Cited by in F6Publishing: 15] [Article Influence: 2.7] [Reference Citation Analysis]
22 Tautermann CS. GPCR Homology Model Generation for Lead Optimization. Methods Mol Biol 2018;1705:115-31. [PMID: 29188560 DOI: 10.1007/978-1-4939-7465-8_5] [Cited by in Crossref: 2] [Cited by in F6Publishing: 1] [Article Influence: 0.5] [Reference Citation Analysis]
23 Yin J, Rosenbaum DM. The Human Orexin/Hypocretin Receptor Crystal Structures. Curr Top Behav Neurosci 2017;33:1-15. [PMID: 28025809 DOI: 10.1007/7854_2016_52] [Cited by in Crossref: 1] [Cited by in F6Publishing: 2] [Article Influence: 0.2] [Reference Citation Analysis]
24 Yin J, Babaoglu K, Brautigam CA, Clark L, Shao Z, Scheuermann TH, Harrell CM, Gotter AL, Roecker AJ, Winrow CJ, Renger JJ, Coleman PJ, Rosenbaum DM. Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors. Nat Struct Mol Biol 2016;23:293-9. [PMID: 26950369 DOI: 10.1038/nsmb.3183] [Cited by in Crossref: 78] [Cited by in F6Publishing: 69] [Article Influence: 13.0] [Reference Citation Analysis]
25 Neveu C, Dulin F, Lefranc B, Galas L, Calbrix C, Bureau R, Rault S, Chuquet J, Boutin JA, Guilhaudis L, Ségalas-Milazzo I, Vaudry D, Vaudry H, Santos JS, Leprince J. Molecular basis of agonist docking in a human GPR103 homology model by site-directed mutagenesis and structure-activity relationship studies. Br J Pharmacol 2014;171:4425-39. [PMID: 24913445 DOI: 10.1111/bph.12808] [Cited by in Crossref: 10] [Cited by in F6Publishing: 11] [Article Influence: 1.3] [Reference Citation Analysis]
26 Lebold TP, Bonaventure P, Shireman BT. Selective orexin receptor antagonists. Bioorg Med Chem Lett 2013;23:4761-9. [PMID: 23891187 DOI: 10.1016/j.bmcl.2013.06.057] [Cited by in Crossref: 53] [Cited by in F6Publishing: 47] [Article Influence: 5.9] [Reference Citation Analysis]
27 Heifetz A, James T, Morao I, Bodkin MJ, Biggin PC. Guiding lead optimization with GPCR structure modeling and molecular dynamics. Current Opinion in Pharmacology 2016;30:14-21. [DOI: 10.1016/j.coph.2016.06.004] [Cited by in Crossref: 20] [Cited by in F6Publishing: 19] [Article Influence: 3.3] [Reference Citation Analysis]
28 Heifetz A, Southey M, Morao I, Townsend-Nicholson A, Bodkin MJ. Computational Methods Used in Hit-to-Lead and Lead Optimization Stages of Structure-Based Drug Discovery. Methods Mol Biol 2018;1705:375-94. [PMID: 29188574 DOI: 10.1007/978-1-4939-7465-8_19] [Cited by in Crossref: 11] [Cited by in F6Publishing: 10] [Article Influence: 2.8] [Reference Citation Analysis]
29 Heifetz A, Barker O, Verquin G, Wimmer N, Meutermans W, Pal S, Law RJ, Whittaker M. Fighting obesity with a sugar-based library: discovery of novel MCH-1R antagonists by a new computational-VAST approach for exploration of GPCR binding sites. J Chem Inf Model 2013;53:1084-99. [PMID: 23590178 DOI: 10.1021/ci4000882] [Cited by in Crossref: 16] [Cited by in F6Publishing: 15] [Article Influence: 1.8] [Reference Citation Analysis]
30 Biggin PC, Aldeghi M, Bodkin MJ, Heifetz A. Beyond Membrane Protein Structure: Drug Discovery, Dynamics and Difficulties. Adv Exp Med Biol 2016;922:161-81. [PMID: 27553242 DOI: 10.1007/978-3-319-35072-1_12] [Cited by in Crossref: 4] [Cited by in F6Publishing: 4] [Article Influence: 0.8] [Reference Citation Analysis]