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Author Details

Xi-Ping Huang
University of North Carolina School of Medicine
1992
139
60
Trey Ideker (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
37162828De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep Learning Framework.bioRxiv2023
37555591De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework.J Chem Inf Model2023
37221270Structural genomics of the human dopamine receptor system.Cell Res2023
37038975Structural insights into angiotensin receptor signaling modulation by balanced and biased agonists.EMBO J2023
34912117Synthon-based ligand discovery in virtual libraries of over 11 billion compounds.Nature2022
36173843Structure-based discovery of nonopioid analgesics acting through the α<sub>2A</sub>-adrenergic receptor.Science2022
36171289Bespoke library docking for 5-HT<sub>2A</sub> receptor agonists with antidepressant activity.Nature2022
35046097Subversion of Serotonin Receptor Signaling in Osteoblasts by Kynurenine Drives Acute Myeloid Leukemia.Cancer Discov2022
34789874Structure, function and pharmacology of human itch GPCRs.Nature2021
33548201Structures of the human dopamine D3 receptor-G<sub>i</sub> complexes.Mol Cell2021
33571431Structural insights into the human D1 and D2 dopamine receptor signaling complexes.Cell2021
33927236Allostery of atypical modulators at oligomeric G protein-coupled receptors.Sci Rep2021
33750903Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.Cell Res2021
33830725Addition to "Designing Functionally Selective Noncatechol Dopamine D<sub>1</sub> Receptor Agonists with Potent In Vivo Antiparkinsonian Activity".ACS Chem Neurosci2021
34880501Structures of the Ï¿<sub>2</sub> receptor enable docking for bioactive ligand discovery.Nature2021
32490198Correction to "A Novel G Protein-Biased and Subtype-Selective Agonist for a G Protein-Coupled Receptor Discovered from Screening Herbal Extracts".ACS Cent Sci2020
32040955Virtual discovery of melatonin receptor ligands to modulate circadian rhythms.Nature2020
32632286Deschloroclozapine, a potent and selective chemogenetic actuator enables rapid neuronal and behavioral modulations in mice and monkeys.Nat Neurosci2020
32703874The activities of drug inactive ingredients on biological targets.Science2020
32865988Differential Roles of Extracellular Histidine Residues of GPR68 for Proton-Sensing and Allosteric Modulation by Divalent Metal Ions.Biochemistry2020
32123739A Novel G Protein-Biased and Subtype-Selective Agonist for a G Protein-Coupled Receptor Discovered from Screening Herbal Extracts.ACS Cent Sci2020
32282200Design and Synthesis of Bitopic 2-Phenylcyclopropylmethylamine (PCPMA) Derivatives as Selective Dopamine D3 Receptor Ligands.J Med Chem2020
32118583Structure-based discovery of potent and selective melatonin receptor agonists.Elife2020
32353859A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.Nature2020
31019305XFEL structures of the human MT<sub>2</sub> melatonin receptor reveal the basis of subtype selectivity.Nature2019
31675498Discovery of Human Signaling Systems: Pairing Peptides to G Protein-Coupled Receptors.Cell2019
31531209β-Fluorofentanyls Are pH-Sensitive Mu Opioid Receptor Agonists.ACS Med Chem Lett2019
31387346Designing Functionally Selective Noncatechol Dopamine D<sub>1</sub> Receptor Agonists with Potent In Vivo Antiparkinsonian Activity.ACS Chem Neurosci2019
31298539Design, Synthesis, and Characterization of Ogerin-Based Positive Allosteric Modulators for G Protein-Coupled Receptor 68 (GPR68).J Med Chem2019
30842648Addendum: A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.Nat Chem Biol2019
31094808Dezocine Alleviates Morphine-Induced Dependence in Rats.Anesth Analg2019
31048811Publisher Correction: Structural basis of ligand recognition at the human MT1 melatonin receptor.Nature2019
30875219Defining Structure-Functional Selectivity Relationships (SFSR) for a Class of Non-Catechol Dopamine D<sub>1</sub> Receptor Agonists.J Med Chem2019
31019306Structural basis of ligand recognition at the human MT<sub>1</sub> melatonin receptor.Nature2019
28807672Pharmacological characterization of novel synthetic opioids (NSO) found in the recreational drug marketplace.Neuropharmacology2018
29990431Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets.J Med Chem2018
30868140DREADD Agonist 21 Is an Effective Agonist for Muscarinic-Based DREADDs <i>in Vitro</i> and <i>in Vivo</i>.ACS Pharmacol Transl Sci2018
30344910Exploring Halogen Bonds in 5-Hydroxytryptamine 2B Receptor-Ligand Interactions.ACS Med Chem Lett2018
29566092Correction: The Ketamine Analogue Methoxetamine and 3- and 4-Methoxy Analogues of Phencyclidine Are High Affinity and Selective Ligands for the Glutamate NMDA Receptor.PLoS One2018
293981125-HT<sub>2C</sub> Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.Cell2018
29307491Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.Cell2018
28640272Zanos et al. reply.Nature2017
28339199Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor.J Med Chem2017
28242772Protamine is an antagonist of apelin receptor, and its activity is reversed by heparin.FASEB J2017
28288109In silico design of novel probes for the atypical opioid receptor MRGPRX2.Nat Chem Biol2017
29202454Fentanyl-related designer drugs W-18 and W-15 lack appreciable opioid activity in vitro and in vivo.JCI Insight2017
29051383D<sub>4</sub> dopamine receptor high-resolution structures enable the discovery of selective agonists.Science2017
28731335A Simple Representation of Three-Dimensional Molecular Structure.J Med Chem2017
25636206hERG Blockade by Iboga Alkaloids.Cardiovasc Toxicol2016
26501955Comprehensive characterization of the Published Kinase Inhibitor Set.Nat Biotechnol2016
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Collaborators

Bryan L Roth
UNC Chapel Hill School of Medicine
Co-authored papers 85
Jian Jin
Union Hospital, Tongji Medical College, Huazhong University of Science and Technology
Co-authored papers 18
Brian K Shoichet
Department of Pharmaceutical Chemistry, University of California san francisco
Co-authored papers 15
Raymond C Stevens
iHuman Institute, ShanghaiTech University
Co-authored papers 13
Vincent Setola
West Virginia University School of Medicine
Co-authored papers 12
Gye Won Han
Bridge Institute, University of Southern California
Co-authored papers 10
Jeffrey F DiBerto
University of North Carolina at Chapel Hill
Co-authored papers 7
Cheryl H Arrowsmith
University of Toronto
Co-authored papers 7
Brian E Krumm
University of North Carolina School of Medicine
Co-authored papers 6
John J Irwin
Department of Pharmaceutical Chemistry, University of California san francisco
Co-authored papers 6
Dalia Barsyte-Lovejoy
University of Toronto, College St
Co-authored papers 5
Hualiang Jiang
Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Co-authored papers 4
Suwen Zhao
ShanghaiTech University, China iHuman Institute
Co-authored papers 4
Joel Karpiak
Department of Pharmaceutical Sciences, University of California San Francisco
Co-authored papers 4
Michael J Keiser
Institute for Neurodegenerative Diseases, University of California san francisco
Co-authored papers 3
Alexander Tropsha
Co-authored papers 3
Jiankun Lyu
Department of Pharmaceutical Chemistry, University of California san francisco
Co-authored papers 3
Sheng Wang
University of North Carolina at Chapel Hill School of Medicine
Co-authored papers 3
Bryan L Roth
UNC School of Medicine
Co-authored papers 2
Shiming Peng
National Institute of Biological Sciences
Co-authored papers 2
Jinrong Min
Central China Normal University
Co-authored papers 2
Wenqing Shui
iHuman Institute, ShanghaiTech University
Co-authored papers 2
Thomas A Rosenquist
Co-authored papers 2
Kuglae Kim
University of North Carolina School of Medicine
Co-authored papers 2
Ying-Xian Pan
Co-authored papers 2
Tia A Tummino
Quantitative Biosciences Institute (QBI), University of California San Francisco
Co-authored papers 2
Guisheng Zhong
ShanghaiTech University
Co-authored papers 2
Kate L White
Lawrence Berkeley National Laboratory
Co-authored papers 2
Andrew L Hopkins
University of Dundee
Co-authored papers 2
Bingjie Zhang
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Release 1.2