Abstract
Background: Drug repositioning aims to identify novel indications for existing drugs. One approach to repositioning exploits shared binding sites between the drug targets and other proteins. Here, we review the principle and algorithms of such target hopping and illustrate them in Chagas disease, an in Latin America widely spread, but neglected disease. Conclusion: We demonstrate how target hopping recovers known treatments for Chagas disease and predicts novel drugs, such as the antiviral foscarnet, which we predict to target Farnesyl Pyrophosphate Synthase in Trypanosoma cruzi, the causative agent of Chagas disease.
Keywords: Drug repositioning, drug re-purposing, structural bioinformatics, structure alignment, drug discovery, Chagas disease, target hopping.
Current Pharmaceutical Design
Title:Computational Drug Repositioning by Target Hopping: A Use Case in Chagas Disease
Volume: 22 Issue: 21
Author(s): V. Joachim Haupt, Jesús E. Aguilar Uvalle, Sebastian Salentin, Simone Daminelli, Franziska Leonhardt, Janez Konc and Michael Schroeder
Affiliation:
Keywords: Drug repositioning, drug re-purposing, structural bioinformatics, structure alignment, drug discovery, Chagas disease, target hopping.
Abstract: Background: Drug repositioning aims to identify novel indications for existing drugs. One approach to repositioning exploits shared binding sites between the drug targets and other proteins. Here, we review the principle and algorithms of such target hopping and illustrate them in Chagas disease, an in Latin America widely spread, but neglected disease. Conclusion: We demonstrate how target hopping recovers known treatments for Chagas disease and predicts novel drugs, such as the antiviral foscarnet, which we predict to target Farnesyl Pyrophosphate Synthase in Trypanosoma cruzi, the causative agent of Chagas disease.
Export Options
About this article
Cite this article as:
Joachim Haupt V., E. Aguilar Uvalle Jesús, Salentin Sebastian, Daminelli Simone, Leonhardt Franziska, Konc Janez and Schroeder Michael, Computational Drug Repositioning by Target Hopping: A Use Case in Chagas Disease, Current Pharmaceutical Design 2016; 22 (21) . https://dx.doi.org/10.2174/1381612822666160224143008
DOI https://dx.doi.org/10.2174/1381612822666160224143008 |
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
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
Emerging and re-emerging diseases
Faced with a possible endemic situation of COVID-19, the world has experienced two important phenomena, the emergence of new infectious diseases and/or the resurgence of previously eradicated infectious diseases. Furthermore, the geographic distribution of such diseases has also undergone changes. This context, in turn, may have a strong relationship with ...read more
Melanoma and Non-Melanoma Skin Cancer Treatment: Standard of Care and Recent Advances
In this thematic issue, we aim to provide a standard of care of the diagnosis and treatment of melanoma and non-melanoma skin cancer. The editor will invite authors from different countries who will write review articles of melanoma and non-melanoma skin cancers. The Diagnosis, Staging, Surgical Treatment, Non-Surgical Treatment all ...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
-
Insights into Ecto-5’-Nucleotidase as a New Target for Cancer Therapy: A Medicinal Chemistry Study
Current Medicinal Chemistry Ellipticine, its Derivatives: Re-evaluation of Clinical Suitability with the Aid of Drug Delivery Systems
Current Cancer Drug Targets Targeting the HIF-1α/Cav-1 Pathway with a Chicory Extract/Daidzein Combination Plays a Potential Role in Retarding Hepatocellular Carcinoma
Current Cancer Drug Targets Viral Product Trafficking to Mitochondria, Mechanisms and Roles in Pathogenesis
Infectious Disorders - Drug Targets Predicting Targeted Polypharmacology for Drug Repositioning and Multi- Target Drug Discovery
Current Medicinal Chemistry Advances and Challenges in Kidney Organoids
Current Stem Cell Research & Therapy Raf Inhibitors as Therapeutic Agents Against Neurodegenerative Diseases
CNS & Neurological Disorders - Drug Targets Roles of Mitogen-Activated Protein Kinases in the Regulation of CYP Genes
Current Drug Metabolism Nutrition, Brain Aging, and Alzheimers Disease
Current Nutrition & Food Science Synthesis, Biological Activity of Thiazolidinones Bearing Indoline Moiety and Isatin Based Hybrids
Mini-Reviews in Organic Chemistry Aflibercept: A Novel VEGF Targeted Agent to Explore the Future Perspectives of Anti-Angiogenic Therapy for the Treatment of Multiple Tumors
Mini-Reviews in Medicinal Chemistry Current and Future Prospective of a Versatile Moiety: Imidazole
Current Drug Targets Properties and Clinical Development of a Novel Coating Technology: The poly[bis(trifluoroethoxy)phosphazene]
Recent Patents on Drug Delivery & Formulation Drug Delivery Systems and Combination Therapy by Using Vinca Alkaloids
Current Topics in Medicinal Chemistry 3D-QSAR and Docking Studies of 4-morpholinopyrrolopyrimidine Derivatives as Potent mTOR Inhibitors
Letters in Drug Design & Discovery Hydroxychloroquine (HCQ) and its Synthetic Precursors: A Review
Mini-Reviews in Organic Chemistry Contributions of the Interaction Between Dietary Protein and Gut Microbiota to Intestinal Health
Current Protein & Peptide Science Anticancer Drug Sensitivity Testing, a Historical Review and Future Perspectives
Current Drug Therapy Cardiac Toxicities of Antiangiogenic Therapies
Current Angiogenesis (Discontinued) Tumor Escape from Immune Response: Mechanisms and Targets of Activity
Current Drug Targets