Abstract
Background: Histamine H3 receptor (H3R) is associated with several neuropsychological diseases, and thus it is an important target involved in several CNS disorders, such as narcolepsy, attention deficit hyperactivity disorder and schizophrenia. Since QSAR modeling is a feasible approach to explain the role of the molecular substituents in the biological activity, it can help in improving the design of better H3R ligands for these conditions.
Methods: This article reviews papers previously published in literature to show the current status of the contribution from QSAR modeling to reach H3R antagonists/inverse agonists.
Results: Classical and 3D-QSAR models were retrieved, showing that the steric and hydrophobic properties of the H3R ligands are most important to reach good affinity.
Conclusion: Although QSAR methods are valuable to design better H3R antagonists/inverse agonists, pharmacokinetics should also be considered in future models to ensure good CNS penetration.
Keywords: QSAR, H3 receptor, H3R antagonists, H3R inverse agonists, neurodegenerative diseases, neuropsychiatric disorders, structure-activity relationship.
Graphical Abstract
Current Neuropharmacology
Title:QSAR Modeling of Histamine H3R Antagonists/inverse Agonists as Future Drugs for Neurodegenerative Diseases
Volume: 16 Issue: 6
Author(s): Michelle Fidelis Correa*Joao Paulo dos Santos Fernandes*
Affiliation:
- Departamento de Ciencias Farmaceuticas, Universidade Federal de Sao Paulo, Rua Sao Nicolau 210, Centro 09913- 030, Diadema-SP,Brazil
- Departamento de Ciencias Farmaceuticas, Universidade Federal de Sao Paulo, Rua Sao Nicolau 210, Centro 09913- 030, Diadema-SP,Brazil
Keywords: QSAR, H3 receptor, H3R antagonists, H3R inverse agonists, neurodegenerative diseases, neuropsychiatric disorders, structure-activity relationship.
Abstract: Background: Histamine H3 receptor (H3R) is associated with several neuropsychological diseases, and thus it is an important target involved in several CNS disorders, such as narcolepsy, attention deficit hyperactivity disorder and schizophrenia. Since QSAR modeling is a feasible approach to explain the role of the molecular substituents in the biological activity, it can help in improving the design of better H3R ligands for these conditions.
Methods: This article reviews papers previously published in literature to show the current status of the contribution from QSAR modeling to reach H3R antagonists/inverse agonists.
Results: Classical and 3D-QSAR models were retrieved, showing that the steric and hydrophobic properties of the H3R ligands are most important to reach good affinity.
Conclusion: Although QSAR methods are valuable to design better H3R antagonists/inverse agonists, pharmacokinetics should also be considered in future models to ensure good CNS penetration.
Export Options
About this article
Cite this article as:
Correa Fidelis Michelle *, dos Santos Fernandes Paulo Joao *, QSAR Modeling of Histamine H3R Antagonists/inverse Agonists as Future Drugs for Neurodegenerative Diseases, Current Neuropharmacology 2018; 16 (6) . https://dx.doi.org/10.2174/1570159X15666170818100644
DOI https://dx.doi.org/10.2174/1570159X15666170818100644 |
Print ISSN 1570-159X |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6190 |
- 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
- Forthcoming Thematic Issues
Related Articles
-
Taurine Analogues; A New Class of Therapeutics: Retrospect and Prospects
Current Medicinal Chemistry Anesthetic Considerations for Electroconvulsive Therapy-Especially Hemodynamic and Respiratory Management
Current Psychiatry Reviews Comparison of Valvulopathy Risk with Lorcaserin and Phenterminetopiramate for Weight Loss
Current Drug Therapy Facts and Fiction: Cellular Models for High Throughput Screening for HIV-1 Reactivating Drugs
Current HIV Research Pharmacogenetics of Target Genes Across Doxorubicin Disposition Pathway: A Review
Current Drug Metabolism Damaged Proteins Bearing L-Isoaspartyl Residues and Aging: A Dynamic Equilibrium Between Generation of Isomerized Forms and Repair by PIMT
Current Aging Science Complex and Differential Glial Responses in Alzheimer´s Disease and Ageing
Current Alzheimer Research Chronic Stress Impacts on Olfactory System
CNS & Neurological Disorders - Drug Targets Recent Knowledge on Medicinal Plants as Source of Cholinesterase Inhibitors for the Treatment of Dementia
Mini-Reviews in Medicinal Chemistry Transcranial Magnetic Stimulation on Rodent Models
CNS & Neurological Disorders - Drug Targets The α2δ Subunit and Absence Epilepsy: Beyond Calcium Channels?
Current Neuropharmacology Midkine: A Promising Molecule for Drug Development to Treat Diseases of the Central Nervous System
Current Pharmaceutical Design ABAD: A Potential Therapeutic Target for Aβ-Induced Mitochondrial Dysfunction in Alzheimers Disease
Mini-Reviews in Medicinal Chemistry Targeting of Peripherally Expressed Pain-Related Molecules in Injury- Induced Chronic Neuropathic Pain
CNS & Neurological Disorders - Drug Targets Recent Developments in the Treatment of Alcoholic Chronic Pancreatitis
Current Drug Abuse Reviews A Review of Agents Patented for their Neuroprotective Properties
Recent Patents on CNS Drug Discovery (Discontinued) Pharmacological Targeting of IDO-Mediated Tolerance for Treating Autoimmune Disease
Current Drug Metabolism Targeting α7 Nicotinic Acetylcholine Receptors in the Treatment of Schizophrenia
Current Pharmaceutical Design Seizures and Sodium Hydrogen Exchangers: Potential of Sodium Hydrogen Exchanger Inhibitors as Novel Anticonvulsants
CNS & Neurological Disorders - Drug Targets Cellular Membranes and Lipid-Binding Domains as Attractive Targets for Drug Development
Current Drug Targets