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
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
From Biodiversity to Chemical Diversity: Focus of Flavonoids
Flavonoids are the largest group of polyphenols, plant secondary metabolites arising from the essential aromatic amino acid phenylalanine (or more rarely from tyrosine) via the phenylpropanoid pathway. The flavan nucleus is the basic 15-carbon skeleton of flavonoids (C6-C3-C6), which consists of two phenyl rings (A and B) and a heterocyclic ...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
-
Low-Density Lipoprotein Cholesterol (LDL-C): How Low?
Current Vascular Pharmacology Are Calcium Channel Blockers First-Line Drugs for the Treatment of Hypertension and Cardiovascular Disease?
Current Hypertension Reviews Recent Patents on Live Bacteria and their Products as Potential Anticancer Agents
Recent Patents on Anti-Cancer Drug Discovery Recent Trends on the Use of Nanoparticles for Nitric Oxide Delivery in Antimicrobial Applications
Drug Delivery Letters Editorial: Can Statins Mitigate the Adverse Cardiovascular Effects of Smoking?
Current Vascular Pharmacology Understanding the Cardiovascular Actions of Soy Isoflavones: Potential Novel Targets for Antihypertensive Drug Development
Cardiovascular & Hematological Disorders-Drug Targets Therapeutic Angiogenesis in Ischemic Heart Disease: Gene or Recombinant Vascular Growth Factor Protein Therapy?
Current Gene Therapy Mediterranean Diet and Longevity
Current Nutrition & Food Science Potential Roles of HDAC Inhibitors in Mitigating Ischemia-induced Brain Damage and Facilitating Endogenous Regeneration and Recovery
Current Pharmaceutical Design Prophylaxis of Erectile Function After Radical Prostatectomy with Phosphodiesterase Type 5 Inhibitors
Current Pharmaceutical Design Foreword
Current Pharmaceutical Design Bioengineering RNA Silencing Across the Life Kingdoms
Recent Patents on Biotechnology Spices: Therapeutic Potential in Cardiovascular Health
Current Pharmaceutical Design Endothelial Dysfunction in Dyslipidaemia: Molecular Mechanisms and Clinical Implications
Current Medicinal Chemistry Current Therapeutic Approaches in Inflammatory Bowel Disease
Current Pharmaceutical Design Functional and Structural Alterations of Large Arteries: Methodological Issues
Current Pharmaceutical Design Systemic Application of Anti-inflammatory Agents in Periodontal Treatment
Clinical Anti-Inflammatory & Anti-Allergy Drugs (Discontinued) Technological Innovations in Magnetic Resonance for Early Detection of Cardiovascular Diseases
Current Pharmaceutical Design Rheumatoid Arthritis: An Autoimmune Disease with Female Preponderance and Cardiovascular Risk Equivalent to Diabetes Mellitus: Role of Cardiovascular Magnetic Resonance
Inflammation & Allergy - Drug Targets (Discontinued) Marine Natural Products as a Promising Source of Therapeutic Compounds to Target Cancer Stem Cells
Current Medicinal Chemistry