Abstract
Untargeted metabolomics is a promising approach for reducing the significant attrition rate for discovering and developing drugs in the pharmaceutical industry. This review aims to highlight the practical decision-making value of untargeted metabolomics for the advancement of drug candidates in drug discovery/development including potentially identifying and validating novel therapeutic targets, creating alternative screening paradigms, facilitating the selection of specific and translational metabolite biomarkers, identifying metabolite signatures for the drug efficacy mechanism of action, and understanding potential drug-induced toxicity. The review provides an overview of the pharmaceutical process workflow to discover and develop new small molecule drugs followed by the metabolomics process workflow that is involved in conducting metabolomics studies. The pros and cons of the major components of the pharmaceutical and metabolomics workflows are reviewed and discussed. Finally, selected untargeted metabolomics literature examples, from primarily 2010 to 2016, are used to illustrate why, how, and where untargeted metabolomics can be integrated into the drug discovery/preclinical drug development process.
Keywords: Drug Discovery, Preclinical, Clinical, Metabolome, Metabolomics, GC/MS, LC/MS, NMR, Platform Comparison, Targeted, Untargeted, Footprinting, Flux, Univariate, Multivariate.
Current Topics in Medicinal Chemistry
Title:Can Untargeted Metabolomics Be Utilized in Drug Discovery/Development?
Volume: 17 Issue: 24
Author(s): Gary W. Caldwell*Gregory C. Leo
Affiliation:
- Janssen Research and Development, 1400 Welsh and McKean Roads, Spring House, PA 19477,United States
Keywords: Drug Discovery, Preclinical, Clinical, Metabolome, Metabolomics, GC/MS, LC/MS, NMR, Platform Comparison, Targeted, Untargeted, Footprinting, Flux, Univariate, Multivariate.
Abstract: Untargeted metabolomics is a promising approach for reducing the significant attrition rate for discovering and developing drugs in the pharmaceutical industry. This review aims to highlight the practical decision-making value of untargeted metabolomics for the advancement of drug candidates in drug discovery/development including potentially identifying and validating novel therapeutic targets, creating alternative screening paradigms, facilitating the selection of specific and translational metabolite biomarkers, identifying metabolite signatures for the drug efficacy mechanism of action, and understanding potential drug-induced toxicity. The review provides an overview of the pharmaceutical process workflow to discover and develop new small molecule drugs followed by the metabolomics process workflow that is involved in conducting metabolomics studies. The pros and cons of the major components of the pharmaceutical and metabolomics workflows are reviewed and discussed. Finally, selected untargeted metabolomics literature examples, from primarily 2010 to 2016, are used to illustrate why, how, and where untargeted metabolomics can be integrated into the drug discovery/preclinical drug development process.
Export Options
About this article
Cite this article as:
Caldwell W. Gary*, Leo C. Gregory , Can Untargeted Metabolomics Be Utilized in Drug Discovery/Development?, Current Topics in Medicinal Chemistry 2017; 17 (24) . https://dx.doi.org/10.2174/1568026617666170707130032
DOI https://dx.doi.org/10.2174/1568026617666170707130032 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
Call for Papers in Thematic Issues
Artificial intelligence for Natural Products Discovery and Development
Our approach involves using computational methods to predict the potential therapeutic benefits of natural products by considering factors such as drug structure, targets, and interactions. We also employ multitarget analysis to understand the role of drug targets in disease pathways. We advocate for the use of artificial intelligence in predicting ...read more
Chemistry Based on Natural Products for Therapeutic Purposes
The development of new pharmaceuticals for a wide range of medical conditions has long relied on the identification of promising natural products (NPs). There are over sixty percent of cancer, infectious illness, and CNS disease medications that include an NP pharmacophore, according to the Food and Drug Administration. Since NP ...read more
Current Trends in Drug Discovery Based on Artificial Intelligence and Computer-Aided Drug Design
Drug development discovery has faced several challenges over the years. In fact, the evolution of classical approaches to modern methods using computational methods, or Computer-Aided Drug Design (CADD), has shown promising and essential results in any drug discovery campaign. Among these methods, molecular docking is one of the most notable ...read more
Drug Discovery in the Age of Artificial Intelligence
In the age of artificial intelligence (AI), we have witnessed a significant boom in AI techniques for drug discovery. AI techniques are increasingly integrated and accelerating the drug discovery process. These developments have not only attracted the attention of academia and industry but also raised important questions regarding the selection ...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
- Announcements
Related Articles
-
Translational Applications of Tissue Engineering in Cardiovascular Medicine
Current Pharmaceutical Design The Future of Induced Pluripotent Stem Cells for Cardiac Therapy and Drug Development
Current Pharmaceutical Design Validity of Oxygen-Ozone Therapy as Integrated Medication Form in Chronic Inflammatory Diseases
Cardiovascular & Hematological Disorders-Drug Targets Radiolabeled Probes Targeting G-Protein-Coupled Receptors for Personalized Medicine
Current Pharmaceutical Design Editorial [Hot topic: The Inflammation Paradigm in Cardiovascular Disease (Guest Editor: Guha Krishnaswamy)]
Cardiovascular & Hematological Disorders-Drug Targets Vitamin D: Evolutionary, Physiological and Health Perspectives
Current Drug Targets Pro-Inflammatory Cytokines IL-1β and TNF-α are not Associated with Plasma Homocysteine Concentration in Alzheimer’s Disease
Current Alzheimer Research Recent Advances in Nanoparticle Carriers for Coordination Complexes
Current Topics in Medicinal Chemistry Anticancer Drug Discovery Targeting DNA Hypermethylation
Current Medicinal Chemistry The Clinical Utility of Ambulatory Blood Pressure Monitoring (ABPM): A Review
Current Hypertension Reviews Influences of Maternal Nutritional Status on Vascular Function in the Offspring
Current Drug Targets Insights from Exercise-induced Cardioprotection-from Clinical Application to Basic Research
Current Pharmaceutical Design The Role of Mitochondrial Dysfunction in Heart Failure and Potential Therapeutic Targets
Current Pharmaceutical Design Independent Relationship of Osteocalcin Circulating Levels with Obesity, Type 2 Diabetes, Hypertension, and HDL Cholesterol
Endocrine, Metabolic & Immune Disorders - Drug Targets Uremia, Atherothrombosis and Malnutrition: The Role of L-arginine- Nitric Oxide Pathway
Cardiovascular & Hematological Disorders-Drug Targets Heat Shock Proteins: Therapeutic Perspectives in Inflammatory Disorders
Recent Patents on Inflammation & Allergy Drug Discovery Keeping the Balance Between Proliferation and Differentiation:The Primary Cilium
Current Genomics Anti-Cancer Activity of 2,4-Disubstituted Thiophene Derivatives: Dual Inhibitors of Lipoxygenase and Cyclooxygenase
Medicinal Chemistry MicroRNA Therapeutics: the Next Magic Bullet?
Mini-Reviews in Medicinal Chemistry Disruption of Circadian Rhythms and Sleep on Critical Illness and the Impact on Cardiovascular Events
Current Pharmaceutical Design