Abstract
The Translocator Protein (18 kDa) (TSPO), previously known as the peripheral benzodiazepine receptor, is widely expressed in glial cells and in peripheral tissues and is involved in a variety of biological processes: steroidogenesis, cell growth and differentiation, apoptosis induction, etc. TSPO basal expression is up-regulated in a number of human pathologies, including a variety of tumors and neuropathologies, such as gliomas and neurodegenerative disorders (Huntingtons and Alzheimers diseases), as well as in various forms of brain injury and inflammation. Furthermore, changes in TSPO receptor levels have been found in anxiety and mood disorders. Nowadays, considerable efforts have been focused on the identification of new TSPO ligands characterized by high-affinity and selectivity. In this review, we report and analyze the main experimental data and the computational procedures and validation methods used for the construction of the TSPO receptor and ligand-based models, describing in detail the most successful results and the new trends.
Keywords: 18 kDa translocator protein (TSPO), 3D-QSAR, computational chemistry, homology model, mutagenesis data, peripheral-type benzodiazepine receptor, pharmacophoric model, virtual screening, glial cells, gliomas, neurodegenerative disorders, high-affinity and selectivity, ligand-based models
Current Topics in Medicinal Chemistry
Title: Computational Studies on Translocator Protein (TSPO) and its Ligands
Volume: 12 Issue: 4
Author(s): Gabriella Ortore, Tiziano Tuccinardi and Adriano Martinelli
Affiliation:
Keywords: 18 kDa translocator protein (TSPO), 3D-QSAR, computational chemistry, homology model, mutagenesis data, peripheral-type benzodiazepine receptor, pharmacophoric model, virtual screening, glial cells, gliomas, neurodegenerative disorders, high-affinity and selectivity, ligand-based models
Abstract: The Translocator Protein (18 kDa) (TSPO), previously known as the peripheral benzodiazepine receptor, is widely expressed in glial cells and in peripheral tissues and is involved in a variety of biological processes: steroidogenesis, cell growth and differentiation, apoptosis induction, etc. TSPO basal expression is up-regulated in a number of human pathologies, including a variety of tumors and neuropathologies, such as gliomas and neurodegenerative disorders (Huntingtons and Alzheimers diseases), as well as in various forms of brain injury and inflammation. Furthermore, changes in TSPO receptor levels have been found in anxiety and mood disorders. Nowadays, considerable efforts have been focused on the identification of new TSPO ligands characterized by high-affinity and selectivity. In this review, we report and analyze the main experimental data and the computational procedures and validation methods used for the construction of the TSPO receptor and ligand-based models, describing in detail the most successful results and the new trends.
Export Options
About this article
Cite this article as:
Ortore Gabriella, Tuccinardi Tiziano and Martinelli Adriano, Computational Studies on Translocator Protein (TSPO) and its Ligands, Current Topics in Medicinal Chemistry 2012; 12 (4) . https://dx.doi.org/10.2174/156802612799078667
DOI https://dx.doi.org/10.2174/156802612799078667 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
Call for Papers in Thematic Issues
Chemistry Based on Natural Products for Therapeutic Purposes
The development of new pharmaceuticals for a wide range of medical conditions has long relied on the identification of promising natural products (NPs). There are over sixty percent of cancer, infectious illness, and CNS disease medications that include an NP pharmacophore, according to the Food and Drug Administration. Since NP ...read more
Current Trends in Drug Discovery Based on Artificial Intelligence and Computer-Aided Drug Design
Drug development discovery has faced several challenges over the years. In fact, the evolution of classical approaches to modern methods using computational methods, or Computer-Aided Drug Design (CADD), has shown promising and essential results in any drug discovery campaign. Among these methods, molecular docking is one of the most notable ...read more
Drug Discovery in the Age of Artificial Intelligence
In the age of artificial intelligence (AI), we have witnessed a significant boom in AI techniques for drug discovery. AI techniques are increasingly integrated and accelerating the drug discovery process. These developments have not only attracted the attention of academia and industry but also raised important questions regarding the selection ...read more
From Biodiversity to Chemical Diversity: Focus of Flavonoids
Flavonoids are the largest group of polyphenols, plant secondary metabolites arising from the essential aromatic amino acid phenylalanine (or more rarely from tyrosine) via the phenylpropanoid pathway. The flavan nucleus is the basic 15-carbon skeleton of flavonoids (C6-C3-C6), which consists of two phenyl rings (A and B) and a heterocyclic ...read more
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
- Announcements
Related Articles
-
Arylpyrazoles: Heterocyclic Scaffold of Immense Therapeutic Application
Current Organic Chemistry Approaches Targeting KV10.1 Open a Novel Window for Cancer Diagnosis and Therapy
Current Medicinal Chemistry Tumor-related Molecular Regulatory Mechanisms of Long Non-coding RNA RMST: Recent Evidence
Mini-Reviews in Medicinal Chemistry Smart Mesoporous Silica Nanocarriers for Antitumoral Therapy
Current Topics in Medicinal Chemistry Lysosomal Storage Diseases and the Blood-Brain Barrier
Current Pharmaceutical Design Distinctive Cellular Roles for Novel Protein Kinase C Isoenzymes
Current Pharmaceutical Design An Overview of Targeted Alpha Therapy with <sup>225</sup>Actinium and <sup>213</sup>Bismuth
Current Radiopharmaceuticals Triazole as Potent Anti-cancer Agent- A Pharmacophoric Scaffold
Current Cancer Therapy Reviews Toward The Rational Design of Cell Fate Modifiers Notch Signaling as a Target for Novel Biopharmaceuticals
Current Pharmaceutical Biotechnology Novel Homeodomain Transcription Factor Nkx2.2 in the Brain Tumor Development
Current Cancer Drug Targets Signaling Intermediates (PI3K/PTEN/AKT/mTOR and RAF/MEK/ERK Pathways) as Therapeutic Targets for Anti-Cancer and Anti-Angiogenesis Treatments
Current Signal Transduction Therapy Lifestyle Factors and MicroRNAs: A New Paradigm in Cancer Chemoprevention
MicroRNA Canonical and Non-Canonical Barriers Facing AntimiR Cancer Therapeutics
Current Medicinal Chemistry Interconnection of Estrogen/Testosterone Metabolism and Mevalonate Pathway in Breast and Prostate Cancers
Current Molecular Pharmacology Recent Patents on Novel P2X7 Receptor Antagonists and their Potential for Reducing Central Nervous System Inflammation
Recent Patents on CNS Drug Discovery (Discontinued) Patent Selections
Recent Patents on Biotechnology Editorial [Hot Topic: Novel Peptide-Based Scaffolds for Drug Discovery (Executive Guest Editor: Julio A. Camarero)]
Current Pharmaceutical Design Farnesylated Proteins as Anticancer Drug Targets: From Laboratory to the Clinic
Current Medicinal Chemistry - Anti-Cancer Agents Anti-Cancer Cytotoxic Effects of Multiwalled Carbon Nanotubes
Current Pharmaceutical Design Flavonoids as Sirtuin Modulators
Current Topics in Medicinal Chemistry