Revealing vilazodone's binding mechanism underlying its partial agonism to the 5-HT1A receptor in the treatment of major depressive disorder
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Title
Revealing vilazodone's binding mechanism underlying its partial agonism to the 5-HT1A receptor in the treatment of major depressive disorder
Authors
Keywords
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Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 19, Issue 42, Pages 28885-28896
Publisher
Royal Society of Chemistry (RSC)
Online
2017-10-09
DOI
10.1039/c7cp05688e
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Note: Only part of the references are listed.- Identifying fast-onset antidepressants using rodent models
- (2017) M J Ramaker et al. MOLECULAR PSYCHIATRY
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- (2017) Fengyuan Yang et al. MOLECULAR SIMULATION
- GWAB: a web server for the network-based boosting of human genome-wide association data
- (2017) Jung Eun Shim et al. NUCLEIC ACIDS RESEARCH
- The role of 5-HT receptors in depression
- (2017) Christine N. Yohn et al. Molecular Brain
- Mechanistic Studies on the Stereoselectivity of the Serotonin 5-HT1AReceptor
- (2016) Shuguang Yuan et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Integrating structural and mutagenesis data to elucidate GPCR ligand binding
- (2016) Christian Munk et al. CURRENT OPINION IN PHARMACOLOGY
- Vortioxetine: a New Treatment for Major Depressive Disorder
- (2016) K. Ryan Connolly et al. EXPERT OPINION ON PHARMACOTHERAPY
- Structural Insights into 5-HT1A/D4 Selectivity of WAY-100635 Analogues: Molecular Modeling, Synthesis, and in Vitro Binding
- (2016) Sébastien Dilly et al. Journal of Chemical Information and Modeling
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- (2016) Huiyong Sun et al. Journal of Chemical Theory and Computation
- Comparative efficacy and tolerability of antidepressants for major depressive disorder in children and adolescents: a network meta-analysis
- (2016) Andrea Cipriani et al. LANCET
- X-ray structures and mechanism of the human serotonin transporter
- (2016) Jonathan A. Coleman et al. NATURE
- Interactive tree of life (iTOL) v3: an online tool for the display and annotation of phylogenetic and other trees
- (2016) Ivica Letunic et al. NUCLEIC ACIDS RESEARCH
- Identification of the inhibitory mechanism of FDA approved selective serotonin reuptake inhibitors: an insight from molecular dynamics simulation study
- (2016) Weiwei Xue et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein–protein binding free energies and re-rank binding poses generated by protein–protein docking
- (2016) Fu Chen et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power
- (2016) Zhe Wang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- SVM-Prot 2016: A Web-Server for Machine Learning Prediction of Protein Functional Families from Sequence Irrespective of Similarity
- (2016) Ying Hong Li et al. PLoS One
- The Principles of Ligand Specificity on beta-2-adrenergic receptor
- (2016) H. C. Stephen Chan et al. Scientific Reports
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- (2016) Ying Hong Li et al. PLoS One
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- (2016) Guoxun Zheng et al. Scientific Reports
- Performance Evaluation and Online Realization of Data-driven Normalization Methods Used in LC/MS based Untargeted Metabolomics Analysis
- (2016) Bo Li et al. Scientific Reports
- Identification of dual active agents targeting 5-HT1A and SERT by combinatorial virtual screening methods
- (2015) Panpan Wang et al. BIO-MEDICAL MATERIALS AND ENGINEERING
- Emerging mechanisms and treatments for depression beyond SSRIs and SNRIs
- (2015) Elena Dale et al. BIOCHEMICAL PHARMACOLOGY
- GPCR crystal structures: Medicinal chemistry in the pocket
- (2015) Jeremy Shonberg et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Is there a link between selectivity and binding thermodynamics profiles?
- (2015) Ákos Tarcsay et al. DRUG DISCOVERY TODAY
- Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity. Part 4
- (2015) Andrzej Chodkowski et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Novel 4-aryl-pyrido[1,2- c ]pyrimidines with dual SSRI and 5-HT 1A activity. Part 5
- (2015) Anna Gomółka et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Higher-Affinity Agonists of 5-HT1AR Discovered through Tuning the Binding-Site Flexibility
- (2015) Peng Lian et al. Journal of Chemical Information and Modeling
- ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
- (2015) James A. Maier et al. Journal of Chemical Theory and Computation
- Global, regional, and national incidence, prevalence, and years lived with disability for 301 acute and chronic diseases and injuries in 188 countries, 1990–2013: a systematic analysis for the Global Burden of Disease Study 2013
- (2015) Theo Vos et al. LANCET
- Neuroimmune mechanisms of depression
- (2015) Georgia E Hodes et al. NATURE NEUROSCIENCE
- Therapeutic target database update 2016: enriched resource for bench to clinical drug target and targeted pathway information
- (2015) Hong Yang et al. NUCLEIC ACIDS RESEARCH
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- (2015) Lin Tao et al. PHARMACOLOGICAL RESEARCH
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- (2015) Connie Sanchez et al. PHARMACOLOGY & THERAPEUTICS
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- (2015) Huiyong Sun et al. Scientific Reports
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- (2014) Xue Qing Yang et al. Journal of Chemical Information and Modeling
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- (2014) Callum J. Dickson et al. Journal of Chemical Theory and Computation
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- (2014) Emilia L. Wu et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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- (2014) Lei Xu et al. JOURNAL OF MEDICINAL CHEMISTRY
- Programming tools: Adventures with R
- (2014) Sylvia Tippmann NATURE
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- (2014) Xavier Robert et al. NUCLEIC ACIDS RESEARCH
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- (2014) Laurent Tritschler et al. Expert Review of Clinical Pharmacology
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- (2013) S-M Huang et al. CLINICAL PHARMACOLOGY & THERAPEUTICS
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- (2013) Pau Celada et al. CNS DRUGS
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- (2013) Kalyan Immadisetty et al. Expert Opinion on Drug Discovery
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- (2013) C. Wang et al. SCIENCE
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- (2013) V. M. Castro et al. BMJ-British Medical Journal
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- (2012) Francesc Artigas PHARMACOLOGY & THERAPEUTICS
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- (2012) Feng Zhu et al. PLoS One
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- (2011) Corey R. Hopkins ACS Chemical Neuroscience
- Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation
- (2011) Juan Du et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Structure and function of an irreversible agonist-β2 adrenoceptor complex
- (2011) Daniel M. Rosenbaum et al. NATURE
- Crystal structure of the β2 adrenergic receptor–Gs protein complex
- (2011) Søren G. F. Rasmussen et al. NATURE
- Update of PROFEAT: a web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence
- (2011) H. B. Rao et al. NUCLEIC ACIDS RESEARCH
- OPM database and PPM web server: resources for positioning of proteins in membranes
- (2011) Mikhail A. Lomize et al. NUCLEIC ACIDS RESEARCH
- Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery
- (2011) F. Zhu et al. NUCLEIC ACIDS RESEARCH
- Clustered patterns of species origins of nature-derived drugs and clues for future bioprospecting
- (2011) F. Zhu et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations
- (2010) Tingjun Hou et al. Journal of Chemical Information and Modeling
- Novel Pyridylmethylamines as Highly Selective 5-HT1ASuperagonists
- (2010) Stefan Bollinger et al. JOURNAL OF MEDICINAL CHEMISTRY
- A Medicinal Chemist’s Guide to Molecular Interactions
- (2010) Caterina Bissantz et al. JOURNAL OF MEDICINAL CHEMISTRY
- Trends in the Exploration of Anticancer Targets and Strategies in Enhancing the Efficacy of Drug Targeting
- (2010) F. Zhu et al. Current Molecular Pharmacology
- What Are Next Generation Innovative Therapeutic Targets? Clues from Genetic, Structural, Physicochemical, and Systems Profiles of Successful Targets
- (2009) F. Zhu et al. JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS
- Update of TTD: Therapeutic Target Database
- (2009) Feng Zhu et al. NUCLEIC ACIDS RESEARCH
- GPCR 3D homology models for ligand screening: Lessons learned from blind predictions of adenosine A2a receptor complex
- (2009) Vsevolod Katritch et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Homology-Free Prediction of Functional Class of Proteins and Peptides by Support Vector Machines
- (2008) Y. Chen et al. CURRENT PROTEIN & PEPTIDE SCIENCE
- Advances toward New Antidepressants with Dual Serotonin Transporter and 5-HT1AReceptor Affinity within a Class of 3-Aminochroman Derivatives. Part 2
- (2008) Nicole T. Hatzenbuhler et al. JOURNAL OF MEDICINAL CHEMISTRY
- Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
- (2008) In Suk Joung et al. JOURNAL OF PHYSICAL CHEMISTRY B
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