摘要
中枢神经系统疾病药物的发现在临床试验中面临着高消耗率。神经疾病的性质极其复杂,通常与多种药物靶点有关。多靶向配体(MTDL)的概念被广泛应用于癌症药物的发现,可能是治疗中枢神经系统疾病的一个有前景的解决方案。开发了一种特殊的生物信息学方法,可以帮助药物学家对MTDL进行鉴定和结构优化。在本文中,我们分析了多目标方法在中枢神经系统药物发现定量构效关系(mt-qsar)中的发展现状;描述了多目标方法在分子模型(可以称为mt-mm)中的应用,以及多目标方法在生物信息学中的前景。与阿尔茨海默病有关。
关键词: 多目标,MTDL,阿尔茨海默病,分子模型,QSAR,化学信息学,生物信息学
Current Medicinal Chemistry
Title:Applications of Multi-Target Computer-Aided Methodologies in Molecular Design of CNS Drugs
Volume: 25 Issue: 39
关键词: 多目标,MTDL,阿尔茨海默病,分子模型,QSAR,化学信息学,生物信息学
摘要: The discovery of drugs for diseases of the central nervous system (CNS) faces high attrition rates in clinical trials. Neural diseases are extremely complex in nature and typically associated with multiple drug targets. A conception of multi-target directed ligands (MTDL), widely applied to the discovery of cancer pharmaceuticals, may be a perspective solution for CNS diseases. Special bioinformatics approaches have been developed which can assist the medicinal chemists in identification and structural optimization of MTDL. In this review, we analyze the current status of the development of multitarget approaches in quantitative structure-activity relationships (mt-QSAR) for CNS drug discovery; and describes applications of multi-target approaches in molecular modelling (which can be called mt-MM), as well as perspectives for multi-target approaches in bioinformatics in relation to Alzheimer’s disease.
Export Options
About this article
Cite this article as:
Applications of Multi-Target Computer-Aided Methodologies in Molecular Design of CNS Drugs, Current Medicinal Chemistry 2018; 25 (39) . https://dx.doi.org/10.2174/0929867324666170920154111
DOI https://dx.doi.org/10.2174/0929867324666170920154111 |
Print ISSN 0929-8673 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-533X |
- 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
-
Advanced Echocardiographic Imaging of the Congenitally Malformed Heart
Current Cardiology Reviews Insights into Oxidative Stress: The Isoprostanes
Current Medicinal Chemistry Editorials (Stem Cell Tourism in the Era of Personalized Medicine: What We Know, and What We Need to Know)
Current Pharmacogenomics and Personalized Medicine Adrenomedullin Expression in Alzheimer's Brain
Current Alzheimer Research DNMT3B Promoter Polymorphisms and Risk of Late Onset Alzheimer’s Disease
Current Alzheimer Research Medication Conveyance Through Nose: Factors Affecting and Novel Applications
Drug Delivery Letters Novel Synthesis, Reactions and anti-Cancer Activities of 4,4-Benzene-1,4- diylbis(6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile)
Current Organic Chemistry The Role of Phosphorylation in Synucleinopathies: Focus on Parkinsons Disease
CNS & Neurological Disorders - Drug Targets Biophysical Analysis of the Transition of an all α-Helical Greek-Key Protein into Amyloid Fibrils Composed of β-Sheet Structure
Protein & Peptide Letters Role of Catechol-O-Methyltransferase (COMT)-Dependent Processes in Parkinson’s Disease and L-DOPA Treatment
CNS & Neurological Disorders - Drug Targets Determination of Parameters of Oxidative Stress in vitro Models of Neurodegenerative Diseases-A Review
Current Clinical Pharmacology Optimization of Extraction and Pre-Concentration of Rizatriptan in Biological Samples Using Solvent Bar and Chemometrics Design
Current Pharmaceutical Analysis Organotypic Brain Slices of ADULT Transgenic Mice: A Tool to Study Alzheimer’s Disease
Current Alzheimer Research Childhood Maltreatment and Stress-Related Psychopathology: The Epigenetic Memory Hypothesis
Current Pharmaceutical Design Mechanism of Organophosphates (Nerve Gases and Pesticides) and Antidotes: Electron Transfer and Oxidative Stress
Current Medicinal Chemistry The Role of Signaling Pathway in the Biological Cause of Rheumatoid Arthritis
Current Drug Research Reviews Effects of Early Maternal Separation on Biobehavioral and Neuropathological Markers of Alzheimer's Disease in Adult Male Rats
Current Alzheimer Research Recent Advances in Perioperative Anesthetic Management Update in the Perioperative Support of Patients with Septic Shock and the Effect on Outcomes
Current Pharmaceutical Design The Kinetic Component in Drug Discovery: Using the Most Basic Pharmacological Concepts to Advance in Selecting Drugs to Combat CNS Diseases
Current Neuropharmacology Comprehensive Comparison of Trace Metal Concentrations in Cancerous and Non-Cancerous Human Tissues
Current Medicinal Chemistry