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Author Details

Howard Broughton
Lilly Research Laboratories
1990
53
22
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36918909Mechanism of action deconvolution of the small-molecule pathological tau aggregation inhibitor Anle138b.Alzheimers Res Ther2023
37715141MAVEN: compound mechanism of action analysis and visualisation using transcriptomics and compound structure data in R/Shiny.BMC Bioinformatics2023
36577758Author Correction: Crystal structure of active CDK4-cyclin D and mechanistic basis for abemaciclib efficacy.NPJ Breast Cancer2022
36446794Crystal structure of active CDK4-cyclin D and mechanistic basis for abemaciclib efficacy.NPJ Breast Cancer2022
33852312Defining Target Engagement Required for Efficacy <i>In Vivo</i> at the Retinoic Acid Receptor-Related Orphan Receptor C2 (RORγt).J Med Chem2021
33656326The Angiopoietin-Like Protein 3 and 8 Complex Interacts with Lipoprotein Lipase and Induces LPL Cleavage.ACS Chem Biol2021
32479512Integration of phage and yeast display platforms: A reliable and cost effective approach for binning of peptides as displayed on-phage.PLoS One2020
33009572A novel phage display vector for selection of target-specific peptides.Protein Eng Des Sel2020
30892942High-throughput hydrogen bond strength calculation and its applications in optimizing drug ADME properties.Future Med Chem2019
31724102A Decoupled Automation Platform for Hydrogen/Deuterium Exchange Mass Spectrometry Experiments.J Am Soc Mass Spectrom2019
29329326Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery.PLoS One2018
30258540Deciphering Binding Interactions of IL-23R with HDX-MS: Mapping Protein and Macrocyclic Dodecapeptide Ligands.ACS Med Chem Lett2018
27807976A Residue-Resolved Bayesian Approach to Quantitative Interpretation of Hydrogen-Deuterium Exchange from Mass Spectrometry: Application to Characterizing Protein-Ligand Interactions.J Phys Chem B2017
29088532Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.J Med Chem2017
26854023A Binding Site on IL-17A for Inhibitory Macrocycles Revealed by Hydrogen/Deuterium Exchange Mass Spectrometry.J Med Chem2016
27224086Two-Site Evaluation of the Repeatability and Precision of an Automated Dual-Column Hydrogen/Deuterium Exchange Mass Spectrometry Platform.Anal Chem2016
25803271Conformational features of secondary N-cyclopropyl amides.J Org Chem2015
23957439The chemical basis of serine palmitoyltransferase inhibition by myriocin.J Am Chem Soc2013
18217214FTree query construction for virtual screening: a statistical analysis.J Comput Aided Mol Des2008
18821532The synthesis of azadirachtin: a potent insect antifeedant.Chemistry2008
17887687Assignment of absolute configuration on the basis of the conformational effects induced by chiral derivatizing agents: the 2-arylpyrrolidine case.Org Lett2007
16249081Macrocyclic peptidomimetic inhibitors of beta-secretase (BACE): first X-ray structure of a macrocyclic peptidomimetic-BACE complex.Bioorg Med Chem Lett2006
16302802Preorganization of the hydroxyethylene dipeptide isostere: the preferred conformation in solution resembles the conformation bound to BACE.J Med Chem2005
15331053Selection of heterocycles for drug design.J Mol Graph Model2004
12747794Identification of a novel, selective GABA(A) alpha5 receptor inverse agonist which enhances cognition.J Med Chem2003
14507205Stereocontrolled synthesis of cyclopropanol amino acids from allylic sulfones: conformationally restricted building blocks.Org Lett2003
12968906Synthesis of bioactive sesterterpenolides from ent-halimic acid. 15-epi-ent-Cladocoran A and B.J Org Chem2003
14602000Chemistry of epoxysulfones: straightforward synthesis of versatile chiral building blocks.Org Lett2003
118819856,7-Dihydro-2-benzothiophen-4(5H)-ones: a novel class of GABA-A alpha5 receptor inverse agonists.J Med Chem2002
29973856Molecular Binding Interactions: Their Estimation and Rationalization in QSARs in Terms of Theoretically Derived Parameters.ScientificWorldJournal2002
12806170Molecular binding interactions: their estimation and rationalization in QSARs in terms of theoretically derived parameters.ScientificWorldJournal2002
11689074N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands.J Med Chem2001
11312925New selective cytotoxic diterpenylquinones and diterpenylhydroquinones.J Med Chem2001
11021541A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening.J Mol Graph Model2000
11000005Development of peptide 3D structure mimetics: rational design of novel peptoid cholecystokinin receptor antagonists.J Med Chem2000
105852083-[3-(Piperidin-1-yl)propyl]indoles as highly selective h5-HT(1D) receptor agonists.J Med Chem1999
10385700The staurosporine-like compound L-753,000 (NB-506) potentiates the neurotrophic effects of neurotrophin-3 by acting selectively at the TrkA receptor.Mol Pharmacol1999
10377215Fluorination of 3-(3-(piperidin-1-yl)propyl)indoles and 3-(3-(piperazin-1-yl)propyl)indoles gives selective human 5-HT1D receptor ligands with improved pharmacokinetic profiles.J Med Chem1999
9658187Photoaffinity labeling of the benzodiazepine binding site of alpha1beta3gamma2 gamma-aminobutyric acidA receptors with flunitrazepam identifies a subset of ligands that interact directly with His102 of the alpha subunit and predicts orientation of these within the benzodiazepine pharmacophore.Mol Pharmacol1998
9873446Serine derived NK1 antagonists. 2: A pharmacophore model for arylsulfonamide binding.Bioorg Med Chem Lett1998
10603937Structural studies on phospholamban and implications for regulation of the Ca(2+)-ATPase.Ann N Y Acad Sci1998
9667875Molecular modeling.Curr Opin Chem Biol1997
92583565-(Piperidin-2-yl)- and 5-(homopiperidin-2-yl)-1,4-benzodiazepines: high-affinity, basic ligands for the cholecystokinin-B receptor.J Med Chem1997
92403524-Heterocyclylpiperidines as selective high-affinity ligands at the human dopamine D4 receptor.J Med Chem1997
8632408Controlled modification of acidity in cholecystokinin B receptor antagonists: N-(1,4-benzodiazepin-3-yl)-N'-[3-(tetrazol-5-ylamino) phenyl]ureas.J Med Chem1996
86425515-(4-Chlorophenyl)-4-methyl-3-(1-(2-phenylethyl)piperidin-4-yl)isoxazole: a potent, selective antagonist at human cloned dopamine D4 receptors.J Med Chem1996
86425503-((4-(4-Chlorophenyl)piperazin-1-yl)-methyl)-1H-pyrrolo-2,3-b-pyridine: an antagonist with high affinity and selectivity for the human dopamine D4 receptor.J Med Chem1996
7482796Inositol monophosphatase--a putative target for Li+ in the treatment of bipolar disorder.Trends Neurosci1995
7890024Structure and mechanism of inositol monophosphatase.FEBS Lett1995
8068620Structural analysis of inositol monophosphatase complexes with substrates.Biochemistry1994
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Collaborators

Alfonso Espada
Co-authored papers 9
Jeffrey A Dodge
Lilly Research Laboratories
Co-authored papers 6
Michael J Chalmers
Lilly Research Laboratories
Co-authored papers 6
Patrick R Griffin
The Scripps Research Institute
Co-authored papers 3
Bruce D Pascal
The Scripps Research Institute
Co-authored papers 3
David E Timm
Lilly Research Laboratories
Co-authored papers 3
David A Collier
Institute of Psychiatry, King's College London
Co-authored papers 2
Daniel J Saltzberg
University of California san francisco
Co-authored papers 1
Andrej Sali (CM4AI)
University of California San Francisco
Co-authored papers 1
Christine Humblet
Lilly Research Laboratories
Co-authored papers 1
Stephen A McMahon
University of St Andrews
Co-authored papers 1
Riccardo Pellarin
CNRS UMR 5086 and Universite Claude Bernard Lyon 1
Co-authored papers 1
Frances Tung
Co-authored papers 1
Tarun Gheyi
New York SGX Research Center for Structural Genomics
Co-authored papers 1
Danalyn Manglicmot
Co-authored papers 1
David C Airey
Lilly Research Laboratories
Co-authored papers 1
Stephen R Wasserman
Argonne National Laboratory
Co-authored papers 1
Release 1.2