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
- Bentham Author Support Services (BASS)
- 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
-
Co-ultraPEALut: Role in Preclinical and Clinical Delirium Manifestations
CNS & Neurological Disorders - Drug Targets Molecular Imaging in the Default Mode Network
Current Molecular Imaging (Discontinued) Risk Factors for Youth Problematic Internet Use: A Cross-sectional Study
Adolescent Psychiatry The Role of Berberine in the Multi-Target Treatment of Senile Dementia
Current Topics in Medicinal Chemistry Autophagy and Mitochondria: Targets in Neurodegenerative Disorders
CNS & Neurological Disorders - Drug Targets Memory Enhancing Effect of Black Pepper in the AlCl3 Induced Neurotoxicity Mouse Model is Mediated Through Its Active Component Chavicine
Current Pharmaceutical Biotechnology Oxidative Stress, Mitochondrial Dysfunction, and Stress Signaling in Alzheimers Disease
Current Alzheimer Research Neuroprotective Therapies for Alzheimers Disease
Current Pharmaceutical Design Cholinesterase Inhibitors and Beyond
Current Alzheimer Research Anticancer Properties of Flavonoids: Roles in Various Stages of Carcinogenesis
Cardiovascular & Hematological Agents in Medicinal Chemistry Unemployment and Substance Use: A Review of the Literature (1990-2010)
Current Drug Abuse Reviews Protein Aggregation and Self Assembly in Health and Disease
Current Proteomics Evidence for an Immune Role on Cognition in Schizophrenia: A Systematic Review
Current Neuropharmacology Temporal Expression of Mutant TDP-43 Correlates with Early Amyotrophic Lateral Sclerosis Phenotype and Motor Weakness
Current Neurovascular Research Animal Galectins and Plant Lectins as Tools for Studies in Neurosciences
Current Neuropharmacology Astroglial Connexins in Neurological and Neuropsychological Disorders and Radiation Exposure
Current Medicinal Chemistry Retraction Notice: Emerging Targets for COPD Therapy
Current Drug Targets - Inflammation & Allergy Lessons from the Drug Discovery of Lapatinib, a Dual ErbB1/2 Tyrosine Kinase Inhibitor
Current Topics in Medicinal Chemistry Revisiting proteus: Do Minor Changes in Lectin Structure Matter in Biological Activity? Lessons from and Potential Biotechnological Uses of the Diocleinae Subtribe Lectins
Current Protein & Peptide Science Serum Testosterone and Cognitive Function in Ageing Male: Updating the Evidence
Recent Patents on Endocrine, Metabolic & Immune Drug Discovery (Discontinued)