Interaction analyses of hTAAR1 and mTAAR1 with antagonist EPPTB

Binding of SEP-363856 within TAAR1 and the 5HT1A receptor: implications for the design of novel antipsychotic drugs

(2021) Pramod C. Nair et al.   MOLECULAR PSYCHIATRY

Potential of turmeric-derived compounds against RNA‐dependent RNA polymerase of SARS‐CoV‐2: An in-silico approach

(2021) Rahul Singh et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Identification of a novel binding mechanism of Quinoline based molecules with lactate dehydrogenase of Plasmodium falciparum

(2020) Rahul Singh et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Identification of naturally originated molecules as γ-aminobutyric acid receptor antagonist

(2020) Jatin Sharma et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Discovery and in silico evaluation of aminoarylbenzosuberene molecules as novel checkpoint kinase 1 inhibitor determinants

(2020) Rahul Singh et al.   GENOMICS

Identification of novel and selective agonists for ABA receptor PYL3

(2020) Rahul Singh et al.   PLANT PHYSIOLOGY AND BIOCHEMISTRY

Himalayan bioactive molecules as potential entry inhibitors for the human immunodeficiency virus

(2020) Vijay Kumar Bhardwaj et al.   FOOD CHEMISTRY

Exploring the Activation Mechanism of a Metabotropic Glutamate Receptor Homodimer via Molecular Dynamics Simulation

(2019) Ting Lei et al.   ACS Chemical Neuroscience

Rational design, chemical synthesis and biological evaluation of novel biguanides exploring species-specificity responsiveness of TAAR1 agonists

(2018) Sara Guariento et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Trace Amines and Their Receptors

(2018) Raul R. Gainetdinov et al.   PHARMACOLOGICAL REVIEWS

TAAR1 in Addiction: Looking Beyond the Tip of the Iceberg

(2018) Jian-Feng Liu et al.   Frontiers in Pharmacology

The Case for TAAR1 as a Modulator of Central Nervous System Function

(2018) Grazia Rutigliano et al.   Frontiers in Pharmacology

Novel biguanide-based derivatives scouted as TAAR1 agonists: Synthesis, biological evaluation, ADME prediction and molecular docking studies

(2017) Michele Tonelli et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Pharmacology of human trace amine-associated receptors: Therapeutic opportunities and challenges

(2017) Mark D. Berry et al.   PHARMACOLOGY & THERAPEUTICS

The orientation and stability of the GPCR-Arrestin complex in a lipid bilayer

(2017) Dali Wang et al.   Scientific Reports

Synthesis of enantiomerically pure [14C]-labelled morpholine derivatives for a class of trace amine-associate receptor 1 agonists

(2016) Martin R. Edelmann et al.   JOURNAL OF LABELLED COMPOUNDS & RADIOPHARMACEUTICALS

Hit-to-Lead Optimization of Mouse Trace Amine Associated Receptor 1 (mTAAR1) Agonists with a Diphenylmethane-Scaffold: Design, Synthesis, and Biological Study

(2016) Grazia Chiellini et al.   JOURNAL OF MEDICINAL CHEMISTRY

Molecular Modeling of Human CCR2 Receptor within POPC Lipid Bilayer

(2016) Ahmad Ebadi et al.   STRUCTURAL CHEMISTRY

Discovery and Characterization of 2-Aminooxazolines as Highly Potent, Selective, and Orally Active TAAR1 Agonists

(2016) Guido Galley et al.   ACS Medicinal Chemistry Letters

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

(2015) Edward Harder et al.   Journal of Chemical Theory and Computation

Design, Synthesis, and Evaluation of Thyronamine Analogues as Novel Potent Mouse Trace Amine Associated Receptor 1 (mTAAR1) Agonists

(2015) Grazia Chiellini et al.   JOURNAL OF MEDICINAL CHEMISTRY

Further Insights Into the Pharmacology of the Human Trace Amine-Associated Receptors: Discovery of Novel Ligands for TAAR1 by a Virtual Screening Approach

(2014) Elena Cichero et al.   Chemical Biology & Drug Design

Antibody structure determination using a combination of homology modeling, energy-based refinement, and loop prediction

(2014) Kai Zhu et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

(2013) G. Madhavi Sastry et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Optimisation of imidazole compounds as selective TAAR1 agonists: Discovery of RO5073012

(2012) Guido Galley et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Insights into the Structure and Pharmacology of the Human Trace Amine-Associated Receptor 1 (hTAAR1): Homology Modelling and Docking Studies

(2012) Elena Cichero et al.   Chemical Biology & Drug Design

An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes

(2012) Joakim P. M. Jämbeck et al.   Journal of Chemical Theory and Computation

TAAR1 activation modulates monoaminergic neurotransmission, preventing hyperdopaminergic and hypoglutamatergic activity

(2011) F. G. Revel et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Successful prediction of the intra- and extracellular loops of four G-protein-coupled receptors

(2011) D. A. Goldfeld et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The VSGB 2.0 model: A next generation energy model for high resolution protein structure modeling

(2011) Jianing Li et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

UniProt Knowledgebase: a hub of integrated protein data

(2011) M. Magrane et al.   Database-The Journal of Biological Databases and Curation

Selective antagonists of mouse trace amine-associated receptor 1 (mTAAR1): Discovery of EPPTB (RO5212773)

(2010) Henri Stalder et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

(2010) Devleena Shivakumar et al.   Journal of Chemical Theory and Computation

Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

(2010) Tingjun Hou et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Molecular Basis of Species-Specific Ligand Activation of Trace Amine-Associated Receptor 1 (TAAR1)

(2009) Edwin S. Tan et al.   ACS Chemical Biology

MILCH SHAKE: An efficient method for constraint dynamics applied to alkanes

(2009) A. G. Bailey et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The selective antagonist EPPTB reveals TAAR1-mediated regulatory mechanisms in dopaminergic neurons of the mesolimbic system

(2009) A. Bradaia et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A Role for a Specific Cholesterol Interaction in Stabilizing the Apo Configuration of the Human A 2A Adenosine Receptor

(2009) Edward Lyman et al.   STRUCTURE

Trace amine-associated receptors and their ligands

(2006) R Zucchi et al.   BRITISH JOURNAL OF PHARMACOLOGY