Abstract
Alzheimer's disease (AD) is characterized by several pathologies, this disease is a neuropathological lesion in brain. Indeed, a wealth of evidence suggests that β-amyloid is central to the pathophysiology of AD and is likely to play an early role in this intractable neurodegenerative disorder. AD is the most prevalent form of dementia, and current indications show that twenty-nine million people live with AD worldwide, a figure expected rise exponentially over the coming decades. Clearly, blocking disease progression or, in the best-case scenario, preventing AD altogether would be of benefit in both social and economic terms. However, current AD therapies are merely palliative and only temporarily slow cognitive decline, and treatments that address the underlying pathologic mechanisms of AD are completely lacking. While familial AD (FAD) is caused by autosomal dominant mutations in either amyloid precursor protein (APP) or the presenilin (PS1, PS2) genes. First, we revised 2D QSAR, 3D QSAR, CoMFA, CoMSIA and Docking of β and γ-secretase inhibitors. Next, we review 2D QSAR, 3D QSAR, CoMFA, CoMSIA and docking for GSK-3α and GSK-3β with different compound to find out the structural requirements.
Keywords: QSAR, CoMSIA, COMFA, Docking, β-secretase inhibitors, γ-secretase inhibitors, Alzheimer's disease (AD), BACE1, transmembrane, GSK-3, tyrosinase inhibitors, N-terminus
Mini-Reviews in Medicinal Chemistry
Title:Review of Theoretical Studies for Prediction of Neurodegenerative Inhibitors
Volume: 12 Issue: 6
Author(s): F. Prado-Prado and I. Garcia
Affiliation:
Keywords: QSAR, CoMSIA, COMFA, Docking, β-secretase inhibitors, γ-secretase inhibitors, Alzheimer's disease (AD), BACE1, transmembrane, GSK-3, tyrosinase inhibitors, N-terminus
Abstract: Alzheimer's disease (AD) is characterized by several pathologies, this disease is a neuropathological lesion in brain. Indeed, a wealth of evidence suggests that β-amyloid is central to the pathophysiology of AD and is likely to play an early role in this intractable neurodegenerative disorder. AD is the most prevalent form of dementia, and current indications show that twenty-nine million people live with AD worldwide, a figure expected rise exponentially over the coming decades. Clearly, blocking disease progression or, in the best-case scenario, preventing AD altogether would be of benefit in both social and economic terms. However, current AD therapies are merely palliative and only temporarily slow cognitive decline, and treatments that address the underlying pathologic mechanisms of AD are completely lacking. While familial AD (FAD) is caused by autosomal dominant mutations in either amyloid precursor protein (APP) or the presenilin (PS1, PS2) genes. First, we revised 2D QSAR, 3D QSAR, CoMFA, CoMSIA and Docking of β and γ-secretase inhibitors. Next, we review 2D QSAR, 3D QSAR, CoMFA, CoMSIA and docking for GSK-3α and GSK-3β with different compound to find out the structural requirements.
Export Options
About this article
Cite this article as:
Prado-Prado F. and Garcia I., Review of Theoretical Studies for Prediction of Neurodegenerative Inhibitors, Mini-Reviews in Medicinal Chemistry 2012; 12 (6) . https://dx.doi.org/10.2174/138955712800493780
DOI https://dx.doi.org/10.2174/138955712800493780 |
Print ISSN 1389-5575 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5607 |
Call for Papers in Thematic Issues
Bioprospecting of Natural Products as Sources of New Multitarget Therapies
According to the Convention on Biological Diversity, bioprospecting is the exploration of biodiversity and indigenous knowledge to develop commercially valuable products for pharmaceutical and other applications. Bioprospecting involves searching for useful organic compounds in plants, fungi, marine organisms, and microorganisms. Natural products traditionally constituted the primary source of more than ...read more
Computational Frontiers in Medicinal Chemistry
The thematic issue "Computational Frontiers in Medicinal Chemistry" provides a robust platform for delving into state-of-the-art computational methodologies and technologies that significantly propel advancements in medicinal chemistry. This edition seeks to amalgamate top-tier reviews spotlighting the latest trends and breakthroughs in the fusion of computational approaches, including artificial intelligence (AI) ...read more
Natural Products and Dietary Supplements in Alleviation of Metabolic, Cardiovascular, and Neurological Disorders
Metabolic disorders like diabetes, obesity, inflammation, oxidative stress, cancer etc, cardiovascular disorders like angina, myocardial infarction, congestive heart failure etc as well as neurological disorders like Alzheimer?s, Parkinson?s, Epilepsy, Depression, etc are the global burden. They covered the major segment of the diseases and disorders from which the human community ...read more
Natural Products in Drug Discovery
Natural products have always been one of the important ways of drug discovery due to their novel skeleton and diverse functional group characteristics. According to statistics, between 1981 and 2019, the FDA approved a total of 1,394 small molecule drugs for marketing, of which 930 marketed drugs originated from the ...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
Related Articles
-
Cerebrospinal Fluid proNGF: A Putative Biomarker for Early Alzheimer’s Disease
Current Alzheimer Research Asymmetric Dimethylarginine: A Possible Link between Vascular Disease and Dementia
Current Alzheimer Research Partial Dopamine Agonists and Dopaminergic Stabilizers, in the Treatment of Psychosis
Current Drug Targets - CNS & Neurological Disorders QT Alterations in Psychopharmacology: Proven Candidates and Suspects
Current Drug Safety Neuroinflammation as a Common Mechanism Associated with the Modifiable Risk Factors for Alzheimer’s and Parkinson’s Diseases
Current Aging Science NMDA-antagonism (Memantine): An Alternative Pharmacological Therapeutic Principle in Alzheimers and Vascular Dementia
Current Pharmaceutical Design Histone Acetylation as a Potential Therapeutic Target in Motor Neuron Degenerative Diseases
Current Pharmaceutical Design Dietary Approaches and Supplements in the Prevention of Cognitive Decline and Alzheimer's Disease
Current Pharmaceutical Design Tetrahydrobioterin (BH4) Pathway: From Metabolism to Neuropsychiatry
Current Neuropharmacology Use of the Bradykinin Agonist, Cereport as a Pharmacological Means of Increasing Drug Delivery to the CNS
Current Medicinal Chemistry - Immunology, Endocrine & Metabolic Agents Off-Label Prescribing of Antipsychotics in Adults, Children and Elderly Individuals: A Systematic Review of Recent Prescription Trends
Current Pharmaceutical Design Altered Amplitude of Low-frequency Fluctuations in Early and Late Mild Cognitive Impairment and Alzheimer's Disease
Current Alzheimer Research Design, Synthesis and Investigation of New Diphenyl Substituted Pyridazinone Derivatives as Both Cholinesterase and Aβ-Aggregation Inhibitors
Medicinal Chemistry Fibrinogen Signal Transduction as a Mediator and Therapeutic Target in Inflammation:Lessons from Multiple Sclerosis
Current Medicinal Chemistry Semicarbazide-Sensitive Amine Oxidase: Current Status and Perspectives
Current Medicinal Chemistry Expression and Function of Organic Cation and Anion Transporters (SLC22 Family) in the CNS
Current Pharmaceutical Design Vaccine Development for Alzheimers Disease
Current Pharmaceutical Design RAS Inhibition Attenuates Cognitive Impairment by Reducing Blood- Brain Barrier Permeability in Hypertensive Subjects
Current Hypertension Reviews Therapeutic Perspectives of Drugs Targeting Toll-Like Receptors Based on Immune Physiopathology Theory of Alzheimers Disease
CNS & Neurological Disorders - Drug Targets Small Molecules that Promote Neurogenesis in vitro
Recent Patents on CNS Drug Discovery (Discontinued)