ArticleJournal of chemical information and modeling2011
Discovery of novel selective serotonin reuptake inhibitors through development of a protein-based pharmacophore.
Article in Journal of chemical information and modeling, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
15 citing papers in PubMed, 34 citations in OpenAlex.
- Unlocking the Potential of High-Quality Dopamine Transporter Pharmacological Data: Advancing Robust Machine Learning-Based QSAR Modeling.Advances in neurobiology · 2025Review
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- Perry Disease: Current Outlook and Advances in Drug Discovery Approach to Symptomatic Treatment.International journal of molecular sciences · 2024Review
- PharmRL: Pharmacophore elucidation with Deep Geometric Reinforcement Learning.Research square · 2024Article
- Computational Chemistry for the Identification of Lead Compounds for Radiotracer Development.Pharmaceuticals (Basel, Switzerland) · 2023Review
- In Silico Investigations into the Selectivity of Psychoactive and New Psychoactive Substances in Monoamine Transporters.ACS omega · 2022Article
- Application of In Silico Filtering and Isothermal Titration Calorimetry for the Discovery of Small Molecule Inhibitors of MDM2.Pharmaceuticals (Basel, Switzerland) · 2022Article
- Differentiated HT22 cells as a novel model forFrontiers in pharmacology · 2022Article
- An Application of Fit Quality to Screen MDM2/p53 Protein-Protein Interaction Inhibitors.Molecules (Basel, Switzerland) · 2018Article
- Structure and Dynamics Study of LeuT Using the Markov State Model and Perturbation Response Scanning Reveals Distinct Ion Induced Conformational States.The journal of physical chemistry. B · 2016Article
- Designing modulators of monoamine transporters using virtual screening techniques.Frontiers in pharmacology · 2015Review
- Discovery of novel-scaffold monoamine transporter ligands via in silico screening with the S1 pocket of the serotonin transporter.ACS chemical neuroscience · 2014Review
- Identification of novel serotonin transporter compounds by virtual screening.Journal of chemical information and modeling · 2014Article
- Article
- Monoamine transporter structure, function, dynamics, and drug discovery: a computational perspective.The AAPS journal · 2012Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors at 2 institutions in 1 country.
Funding
Abstract
The serotonin transporter (SERT), a member of the neurotransmitter sodium symporter (NSS) family, is responsible for the reuptake of serotonin from the synaptic cleft to maintain neurotransmitter homeostasis. SERT is established as an important target in the treatment of anxiety and depression. Because a high-resolution crystal structure is not available, a computational model of SERT was built based upon the X-ray coordinates of the leucine transporter LeuT, a bacterial NSS homologue. The model was used to develop the first SERT structure-based pharmacophore. Virtual screening (VS) of a small molecule structural library using the generated SERT computational model yielded candidate ligands of diverse scaffolds. Pharmacological analysis of the VS hits identified two SERT-selective compounds, potential lead compounds for further SERT-related medication development.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.