Abstract
The ascent of polypharmacology in drug development has many implications for disease therapy, most notably in the efforts of drug discovery, drug repositioning, precision medicine and combination therapy. The single- target approach to drug development has encountered difficulties in predicting drugs that are both clinically efficacious and avoid toxicity. By contrast, polypharmacology offers the possibility of a controlled distribution of effects on a biological system. This review addresses possibilities and bottlenecks in the efficient computational application of polypharmacology. The two major areas we address are the discovery and prediction of multiple protein targets using the tools of computer-aided drug design, and the use of these protein targets in predicting therapeutic potential in the context of biological networks. The successful application of polypharmacology to systems biology and pharmacology has the potential to markedly accelerate the pace of development of novel therapies for multiple diseases, and has implications for the intellectual property landscape, likely requiring targeted changes in patent law.
Keywords: Polypharmacology, systems biology, docking, computer aided drug design, natural language processing.
Current Pharmaceutical Design
Title:Harnessing Polypharmacology with Computer-Aided Drug Design and Systems Biology
Volume: 22 Issue: 21
Author(s): Henri Wathieu, Naiem T. Issa, Stephen W. Byers and Sivanesan Dakshanamurthy
Affiliation:
Keywords: Polypharmacology, systems biology, docking, computer aided drug design, natural language processing.
Abstract: The ascent of polypharmacology in drug development has many implications for disease therapy, most notably in the efforts of drug discovery, drug repositioning, precision medicine and combination therapy. The single- target approach to drug development has encountered difficulties in predicting drugs that are both clinically efficacious and avoid toxicity. By contrast, polypharmacology offers the possibility of a controlled distribution of effects on a biological system. This review addresses possibilities and bottlenecks in the efficient computational application of polypharmacology. The two major areas we address are the discovery and prediction of multiple protein targets using the tools of computer-aided drug design, and the use of these protein targets in predicting therapeutic potential in the context of biological networks. The successful application of polypharmacology to systems biology and pharmacology has the potential to markedly accelerate the pace of development of novel therapies for multiple diseases, and has implications for the intellectual property landscape, likely requiring targeted changes in patent law.
Export Options
About this article
Cite this article as:
Wathieu Henri, T. Issa Naiem, W. Byers Stephen and Dakshanamurthy Sivanesan, Harnessing Polypharmacology with Computer-Aided Drug Design and Systems Biology, Current Pharmaceutical Design 2016; 22 (21) . https://dx.doi.org/10.2174/1381612822666160224141930
DOI https://dx.doi.org/10.2174/1381612822666160224141930 |
Print ISSN 1381-6128 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4286 |
Call for Papers in Thematic Issues
"Tuberculosis Prevention, Diagnosis and Drug Discovery"
The Nobel Prize-winning discoveries of Mycobacterium tuberculosis and streptomycin have enabled an appropriate diagnosis and an effective treatment of tuberculosis (TB). Since then, many newer diagnosis methods and drugs have been saving millions of lives. Despite advances in the past, TB is still a leading cause of infectious disease mortality ...read more
?Revolutionizing Cancer Treatment: Nano-Therapeutics Targeting Tumor Microenvironment?
This thematic issue explores the forefront of cancer treatment, centering on the groundbreaking potential of nano-therapeutics meticulously designed to target the tumor microenvironment. At its core, the issue aims to unravel the latest advancements in nanotechnology, showcasing innovative materials, formulations, and delivery systems that hold promise for redefining cancer therapeutics. ...read more
Blood-based biomarkers in large-scale screening for neurodegenerative diseases
Disease biomarkers are necessary tools that can be employ in several clinical context of use (COU), ranging from the (early) diagnosis, prognosis, prediction, to monitor of disease state and/or drug efficacy. Regarding neurodegenerative diseases, in particular Alzheimer?s disease (AD), a battery of well-validated biomarkers are available, such as cerebrospinal fluid ...read more
Current Pharmaceutical challenges in the treatment and diagnosis of neurological dysfunctions
Neurological dysfunctions (MND, ALS, MS, PD, AD, HD, ALS, Autism, OCD etc..) present significant challenges in both diagnosis and treatment, often necessitating innovative approaches and therapeutic interventions. This thematic issue aims to explore the current pharmaceutical landscape surrounding neurological disorders, shedding light on the challenges faced by researchers, clinicians, and ...read more
![](/images/wayfinder.jpg)
- 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
-
Viral Anti-Inflammatory Reagents: The Potential for Treatment of Arthritic and Vasculitic Disorders
Endocrine, Metabolic & Immune Disorders - Drug Targets Role of the Decreased Nitric Oxide Bioavailability in the Vascular Complications of Diabetes Mellitus
Current Pharmaceutical Biotechnology Patent Selections
Recent Patents on Cardiovascular Drug Discovery Vascular Effects of Ambient Pollutant Particles and Metals
Current Vascular Pharmacology Effects of Physical Exercise on Inflammatory Markers of Atherosclerosis
Current Pharmaceutical Design Serotonin Reuptake Inhibitors and Cardiovascular Disease
Vascular Disease Prevention (Discontinued) High Doses of In vitro Beta-carotene, Alpha-Tocopherol and Ascorbic Acid Induce Oxidative Stress and Secretion of IL-6 in Peripheral Blood Mononuclear Cells from Healthy Donors
Current Aging Science Stem Cell-Derived Microvesicles: A Cell Free Therapy Approach to the Regenerative Medicine
Current Biotechnology Viral Disorder or Disordered Viruses: Do Viral Proteins Possess Unique Features?
Protein & Peptide Letters Carotid Intima Media-thickness and Genes Involved in Lipid Metabolism in Diabetic Patients using Statins – a Pathway Toward Personalized Medicine
Cardiovascular & Hematological Agents in Medicinal Chemistry Inflammatory Markers in Essential Hypertension: Potential Clinical Implications
Current Vascular Pharmacology Modulation of Cardiac Metabolism During Myocardial Ischemia
Current Pharmaceutical Design Low Osteopontin N-Terminal Fragment and Carotid Plaque Stability Associated with Statin or Antiplatelet Therapy
Current Vascular Pharmacology Large Artery Stiffness and Antihypertensive Agents
Current Pharmaceutical Design Lessons from the REACH Registry in Europe
Current Vascular Pharmacology Genetic and Non-Genetic Determinants of the Pharmacological Activity of Statins
Current Drug Metabolism Diabetes Mellitus in Saudi Arabia: A Review of the Recent Literature
Current Diabetes Reviews Exploring the Potential of NO-Independent Stimulators and Activators of Soluble Guanylate Cyclase for the Medical Treatment of Erectile Dysfunction
Current Pharmaceutical Design Resveratrol as a Chemopreventive Agent: A Promising Molecule for Fighting Cancer
Current Drug Targets Hypersensitivity Reactions to Neuromuscular Blocking Agents
Current Pharmaceutical Design