Similarities between the Binding Sites of SB-206553 at Serotonin Type 2 and Alpha7 Acetylcholine Nicotinic Receptors: Rationale for Its Polypharmacological Profile

Molecular blueprint of allosteric binding sites in a homologue of the agonist-binding domain of the α7 nicotinic acetylcholine receptor

(2015) Radovan Spurny et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Synthesis, 5-Hydroxytryptamine1A Receptor Affinity and Docking Studies of 3-[3-(4-Aryl-1-piperazinyl)-propyl]-1H-Indole Derivatives

(2015) Hernán Pessoa-Mahana et al.   CHEMICAL & PHARMACEUTICAL BULLETIN

4-Methylthioamphetamine Increases Dopamine in the Rat Striatum and has Rewarding EffectsIn Vivo

(2014) Ramón Sotomayor-Zárate et al.   BASIC & CLINICAL PHARMACOLOGY & TOXICOLOGY

Merging old and new perspectives on nicotinic acetylcholine receptors

(2014) Roger L. Papke   BIOCHEMICAL PHARMACOLOGY

Polypharmacology: Challenges and Opportunities in Drug Discovery

(2014) Andrew Anighoro et al.   JOURNAL OF MEDICINAL CHEMISTRY

Insights into the influence of 5-HT2c aminoacidic variants with the inhibitory action of serotonin inverse agonists and antagonists

(2014) Roberta Galeazzi et al.   JOURNAL OF MOLECULAR MODELING

Synthesis, docking and pharmacological evaluation of novel homo- and hetero-bis 3-piperazinylpropylindole derivatives at SERT and 5-HT1A receptor

(2013) Hernán Pessoa-Mahana et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Neonicotinic analogues: Selective antagonists for α4β2 nicotinic acetylcholine receptors

(2013) Manuel Faundez-Parraguez et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Hydration Properties of Ligands and Drugs in Protein Binding Sites: Tightly-Bound, Bridging Water Molecules and Their Effects and Consequences on Molecular Design Strategies

(2013) Alfonso T. García-Sosa   Journal of Chemical Information and Modeling

Aromatic interactions impact ligand binding and function at serotonin 5-HT2CG protein-coupled receptors: receptor homology modelling, ligand docking, and molecular dynamics results validated by experimental studies

(2013) Tania Córdova-Sintjago et al.   MOLECULAR PHYSICS

Structure-Activity Relationships of Constrained Phenylethylamine Ligands for the Serotonin 5-HT2 Receptors

(2013) Vignir Isberg et al.   PLoS One

Structural Features for Functional Selectivity at Serotonin Receptors

(2013) D. Wacker et al.   SCIENCE

SB 206553, a putative 5-HT2C inverse agonist, attenuates methamphetamine-seeking in rats

(2012) Steven M Graves et al.   BMC NEUROSCIENCE

Molecular determinants for ligand binding at serotonin 5-HT2Aand 5-HT2CGPCRs: Experimental affinity results analyzed by molecular modeling and ligand docking studies

(2012) Tania Córdova-Sintjago et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Systems Pharmacology: Network Analysis to Identify Multiscale Mechanisms of Drug Action

(2011) Shan Zhao et al.   Annual Review of Pharmacology and Toxicology

Novel Positive Allosteric Modulators of the Human α7 Nicotinic Acetylcholine Receptor

(2011) Hugo R. Arias et al.   BIOCHEMISTRY

Predicted Structures and Dynamics for Agonists and Antagonists Bound to Serotonin 5-HT2B and 5-HT2C Receptors

(2011) Soo-Kyung Kim et al.   Journal of Chemical Information and Modeling

Insights into binding modes of 5-HT2c receptor antagonists with ligand-based and receptor-based methods

(2011) Chunhua Lu et al.   JOURNAL OF MOLECULAR MODELING

Competitive binding at a nicotinic receptor transmembrane site of two α7-selective positive allosteric modulators with differing effects on agonist-evoked desensitization

(2011) Toby Collins et al.   NEUROPHARMACOLOGY

Agonist activation of  7 nicotinic acetylcholine receptors via an allosteric transmembrane site

(2011) J. K. Gill et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational Study on the Interaction of N1 Substituted Pyrazole Derivatives with B-Raf Kinase: An Unusual Water Wire Hydrogen-Bond Network and Novel Interactions at the Entrance of the Active Site

(2010) Jans H. Alzate-Morales et al.   Journal of Chemical Information and Modeling

A Medicinal Chemist’s Guide to Molecular Interactions

(2010) Caterina Bissantz et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure-Based Approaches to Target Fishing and Ligand Profiling

(2010) Didier Rognan   Molecular Informatics

Molecular Determinants for Competitive Inhibition of  4 2 Nicotinic Acetylcholine Receptors

(2010) P. Iturriaga-Vasquez et al.   MOLECULAR PHARMACOLOGY

PocketMatch: A new algorithm to compare binding sites in protein structures

(2009) Kalidas Yeturu et al.   BMC BIOINFORMATICS

What Does Systems Biology Mean for Drug Development?

(2008) Andre Schrattenholz et al.   CURRENT MEDICINAL CHEMISTRY

Old and New Pharmacology: Positive Allosteric Modulation of the  7 Nicotinic Acetylcholine Receptor by the 5-Hydroxytryptamine2B/C Receptor Antagonist SB-206553 (3,5-Dihydro-5-methyl-N-3-pyridinylbenzo[1,2-b:4,5-b']di pyrrole-1(2H)-carboxamide)

(2008) J. Dunlop et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

Positive Allosteric Modulation of the  7 Nicotinic Acetylcholine Receptor: Ligand Interactions with Distinct Binding Sites and Evidence for a Prominent Role of the M2-M3 Segment

(2008) D. Bertrand et al.   MOLECULAR PHARMACOLOGY

Network pharmacology: the next paradigm in drug discovery

(2008) Andrew L Hopkins   Nature Chemical Biology

MultiBind and MAPPIS: webservers for multiple alignment of protein 3D-binding sites and their interactions

(2008) A. Shulman-Peleg et al.   NUCLEIC ACIDS RESEARCH

Potentiation of  7 nicotinic acetylcholine receptors via an allosteric transmembrane site

(2008) G. T. Young et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA