Abstract
Drug repositioning, an innovative therapeutic application of an old drug, has received much attention as a particularly costeffective strategy in drug R&D. Recent work has indicated that repositioning can be promoted by utilizing a wide range of information sources, including medicinal chemical, target, mechanism, main and side-effect-related information, and also bibliometric and taxonomical fingerprints, signatures and knowledge bases. This article describes the adaptation of a conceptually novel, more efficient approach for the identification of new possible therapeutic applications of approved drugs and drug candidates, based on a kernel-based data fusion method. This strategy includes (1) the potentially multiple representation of information sources, (2) the automated weighting and statistically optimal combination of information sources, and (3) the automated weighting of parts of the query compounds. The performance was systematically evaluated by using Anatomical Therapeutic Chemical Classification System classes in a cross-validation framework. The results confirmed that kernel-based data fusion can integrate heterogeneous information sources significantly better than standard rank-based fusion can, and this method provides a unique solution for repositioning; it can also be utilized for de novo drug discovery. The advantages of kernel-based data fusion are illustrated with examples and open problems that are particularly relevant for pharmaceutical applications.
Keywords: Data fusion, in silico drug discovery, drug repositioning, kernel fusion, side-effect, similarity search, support vector machine, Drug repositioning, innovative therapeutic, drug
Current Medicinal Chemistry
Title:Multi-Aspect Candidates for Repositioning: Data Fusion Methods Using Heterogeneous Information Sources
Volume: 20 Issue: 1
Author(s): A. Arany, B. Bolgar, B. Balogh, P. Antal and P. Matyus
Affiliation:
Keywords: Data fusion, in silico drug discovery, drug repositioning, kernel fusion, side-effect, similarity search, support vector machine, Drug repositioning, innovative therapeutic, drug
Abstract: Drug repositioning, an innovative therapeutic application of an old drug, has received much attention as a particularly costeffective strategy in drug R&D. Recent work has indicated that repositioning can be promoted by utilizing a wide range of information sources, including medicinal chemical, target, mechanism, main and side-effect-related information, and also bibliometric and taxonomical fingerprints, signatures and knowledge bases. This article describes the adaptation of a conceptually novel, more efficient approach for the identification of new possible therapeutic applications of approved drugs and drug candidates, based on a kernel-based data fusion method. This strategy includes (1) the potentially multiple representation of information sources, (2) the automated weighting and statistically optimal combination of information sources, and (3) the automated weighting of parts of the query compounds. The performance was systematically evaluated by using Anatomical Therapeutic Chemical Classification System classes in a cross-validation framework. The results confirmed that kernel-based data fusion can integrate heterogeneous information sources significantly better than standard rank-based fusion can, and this method provides a unique solution for repositioning; it can also be utilized for de novo drug discovery. The advantages of kernel-based data fusion are illustrated with examples and open problems that are particularly relevant for pharmaceutical applications.
Export Options
About this article
Cite this article as:
Arany A., Bolgar B., Balogh B., Antal P. and Matyus P., Multi-Aspect Candidates for Repositioning: Data Fusion Methods Using Heterogeneous Information Sources, Current Medicinal Chemistry 2013; 20 (1) . https://dx.doi.org/10.2174/0929867311302010010
DOI https://dx.doi.org/10.2174/0929867311302010010 |
Print ISSN 0929-8673 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-533X |
Call for Papers in Thematic Issues
Advances in Medicinal Chemistry: From Cancer to Chronic Diseases.
The broad spectrum of the issue will provide a comprehensive overview of emerging trends, novel therapeutic interventions, and translational insights that impact modern medicine. The primary focus will be diseases of global concern, including cancer, chronic pain, metabolic disorders, and autoimmune conditions, providing a broad overview of the advancements in ...read more
Cellular and Molecular Mechanisms of Non-Infectious Inflammatory Diseases: Focus on Clinical Implications
The Special Issue covers the results of the studies on cellular and molecular mechanisms of non-infectious inflammatory diseases, in particular, autoimmune rheumatic diseases, atherosclerotic cardiovascular disease and other age-related disorders such as type II diabetes, cancer, neurodegenerative disorders, etc. Review and research articles as well as methodology papers that summarize ...read more
Chalcogen-modified nucleic acid analogues
Chalcogen-modified nucleosides, nucleotides and oligonucleotides have been of great interest to scientific research for many years. The replacement of oxygen in the nucleobase, sugar or phosphate backbone by chalcogen atoms (sulfur, selenium, tellurium) gives these biomolecules unique properties resulting from their altered physical and chemical properties. The continuing interest in ...read more
Current advances in inherited cardiomyopathy
Describe in detail all novel advances in multimodality imaging related to inherited cardiomyopathy diagnosis and prognosis. Shed light to deeper phenotypic characterization. Acknowledge recent advances in genetics, genomics and precision medicineread 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
-
Adipokines: Therapeutic Targets for Metabolic Syndrome
Current Drug Targets Comparison of Dapaglifozin and Liraglutide in Patients with Poorly Controlled Type 2 Diabetes Mellitus: a 24-week, Open, Double-centered, Head to Head Trial
Endocrine, Metabolic & Immune Disorders - Drug Targets Medicinal Plants and Bioactive Compounds for Diabetes Management: Important Advances in Drug Discovery
Current Pharmaceutical Design Structural and Molecular Tear Film Changes in Glaucoma
Current Medicinal Chemistry Synthesis of 3,4–Dihydropyrimidin–2-ones (DHPMs) Using Highly Efficient Recyclable Silica Supported Rhodium Chloride as Heterogeneous Catalyst and their Anti-Neuroinflammatory Activity
Letters in Drug Design & Discovery Cardiac Remodeling Induced by Smoking: Concepts, Relevance, and Potential Mechanisms
Inflammation & Allergy - Drug Targets (Discontinued) Telomeres, Senescence and Longevity: The Role of Oxidative Stress and Antioxidants
Current Pharmacogenomics Human Anthrax as a Re-Emerging Disease
Recent Patents on Anti-Infective Drug Discovery Independent Relationship of Osteocalcin Circulating Levels with Obesity, Type 2 Diabetes, Hypertension, and HDL Cholesterol
Endocrine, Metabolic & Immune Disorders - Drug Targets On the Role of Endothelial TRPC3 Channels in Endothelial Dysfunction and Cardiovascular Disease
Cardiovascular & Hematological Agents in Medicinal Chemistry Fractional Flow Reserve: Physiological Basis, Advantages and Limitations, and Potential Gender Differences
Current Cardiology Reviews Rosuvastatin Ameliorates Obesity and Proteinuria in Zucker Diabetic Fatty Rats
Immunology, Endocrine & Metabolic Agents in Medicinal Chemistry (Discontinued) Common Comorbidities that Alter Heart Failure Prognosis - Shaping New Thinking for Practice
Current Cardiology Reviews Comparison Study on the Contents of Eight Flavonoids in three Different Processed Products of Scutellariae Radix using Ultra-high Performance Liquid Chromatography Coupled With Triple-Quadrupole Mass Spectrometry
Current Pharmaceutical Analysis Novel Anti-Inflammatory Agents in COPD: Targeting Lung and Systemic Inflammation
Current Drug Targets Isoniazid Induced Metabolic Acidosis and Renal Dysfunction in an Elderly Patient with Chronic Renal Disease
Current Drug Safety Combination of Thiazide Diuretics and Angiotensin Receptor Blockers Attenuates Osteoporosis in Hypertensive Rats
Immunology, Endocrine & Metabolic Agents in Medicinal Chemistry (Discontinued) Chinese Herbal Formulas and Renal Fibrosis: An Overview
Current Pharmaceutical Design Arterial Stiffness and Cardiovascular Drugs
Current Pharmaceutical Design Healthcare Expenditures Related to BMI and Physical Activity Among Diabetic Older People: Cross-sectional Analysis of Sabe Study
Current Diabetes Reviews