Abstract
Hepatitis B Virus (HBV) is a major global health burden. Interferon alpha and nucleos(t)ide analogues are currently the standard-of-care for chronic HBV infection. However, these antiviral agents have limited efficacy and do not result in a sustained virological response in the majority of infected patients. Virtual Screening (VS) strategies have now a strong impact on drug discovery, the strength of this research field has been corroborated by recent contributions in the development of novel drug candidates which are in clinical trials or which are already available in the clinics. In this context, different VS strategies have been applied to HBV in order to discover novel inhibitors. In this review, we summarize the VS efforts to identify and design novel HBV interventions. We believe that the combination of in silico and in vitro tools can lead to faster validation of novel drug targets which could accelerate the HBV drug discovery and development efforts.
Keywords: Ligand-based virtual screening, structure-based virtual screening, quantitative structure-activity relationships, docking, Hepatitis B Virus, inhibitors, workflow.
Current Medicinal Chemistry
Title:Virtual Screening in Hepatitis B Virus Drug Discovery: Current Stateof- the-Art and Future Perspectives
Volume: 25 Issue: 23
Author(s): Mohcine Elmessaoudi-Idrissi, Arnaud Blondel, Anass Kettani, Marc P. Windisch, Soumaya Benjelloun and Sayeh Ezzikouri*
Affiliation:
- Virology Unit, Viral Hepatitis Laboratory, Institut Pasteur du Maroc, Casablanca,Morocco
Keywords: Ligand-based virtual screening, structure-based virtual screening, quantitative structure-activity relationships, docking, Hepatitis B Virus, inhibitors, workflow.
Abstract: Hepatitis B Virus (HBV) is a major global health burden. Interferon alpha and nucleos(t)ide analogues are currently the standard-of-care for chronic HBV infection. However, these antiviral agents have limited efficacy and do not result in a sustained virological response in the majority of infected patients. Virtual Screening (VS) strategies have now a strong impact on drug discovery, the strength of this research field has been corroborated by recent contributions in the development of novel drug candidates which are in clinical trials or which are already available in the clinics. In this context, different VS strategies have been applied to HBV in order to discover novel inhibitors. In this review, we summarize the VS efforts to identify and design novel HBV interventions. We believe that the combination of in silico and in vitro tools can lead to faster validation of novel drug targets which could accelerate the HBV drug discovery and development efforts.
Export Options
About this article
Cite this article as:
Elmessaoudi-Idrissi Mohcine, Blondel Arnaud, Kettani Anass , Windisch P. Marc , Benjelloun Soumaya and Ezzikouri Sayeh *, Virtual Screening in Hepatitis B Virus Drug Discovery: Current Stateof- the-Art and Future Perspectives, Current Medicinal Chemistry 2018; 25 (23) . https://dx.doi.org/10.2174/0929867325666180221141451
DOI https://dx.doi.org/10.2174/0929867325666180221141451 |
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
Approaches to the treatment of chronic inflammation
Chronic inflammation is a hallmark of numerous diseases, significantly impacting global health. Although chronic inflammation is a hot topic, not much has been written about approaches to its treatment. This thematic issue aims to showcase the latest advancements in chronic inflammation treatment and foster discussion on future directions in this ...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
- 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
-
Metabotropic Glutamate and Cannabinoid Receptor Crosstalk in Periaqueductal Grey Pain Processing
Current Neuropharmacology Anti-Angiogenic Agents in Pancreatic Cancer: A Review
Anti-Cancer Agents in Medicinal Chemistry Nonstandard Drugs and Feasible New Interventions for Autoimmune Hepatitis: Part I
Inflammation & Allergy - Drug Targets (Discontinued) Personal Genetics – Sports Utility Vehicle?
Recent Patents on DNA & Gene Sequences Possible Pathways of Hepatotoxicity Caused by Chemical Agents
Current Drug Metabolism Stem Cells Treatment for Wilson Disease
Current Stem Cell Research & Therapy Nitric Oxide: News from Stem Cells to Platelets
Current Medicinal Chemistry Intrathecal Rituximab Therapy in Multiple Sclerosis: Review of Evidence Supporting the Need for Future Trials
Current Drug Targets Nanoparticle- and Liposome-carried Drugs: New Strategies for Active Targeting and Drug Delivery Across Blood-brain Barrier
Current Drug Metabolism Neurodegeneration and Neuroinflammation in Diabetic Retinopathy: Potential Approaches to Delay Neuronal Loss
Current Neuropharmacology Systemic Lupus Erythematosus: Correlation Between Immunodysregulation and Clinical Manifestations
Current Rheumatology Reviews The Etiology of Hypertension in the Metabolic Syndrome Part One: An Introduction to the History, the Concept and the Models
Current Vascular Pharmacology VEGF in Tumor Progression and Targeted Therapy
Current Cancer Drug Targets The Role of Therapeutic Drugs on Acquired Mitochondrial Toxicity
Current Drug Metabolism Genetic Variation at the Human MGMT Locus and its Biological Consequences
Current Pharmacogenomics HIV/AIDS Curable Study: New Forms of Therapeutic Trinity
Recent Patents on Anti-Infective Drug Discovery Unique Insights into the Actions of CNS Agents: Lessons from Studies of Chlorpyrifos and Other Common Pesticides
Central Nervous System Agents in Medicinal Chemistry Cerebral White Matter Injuries Following a Hypoxic/Ischemic Insult During the Perinatal Period: Pathophysiology, Prognostic Factors, and Future Strategy of Treatment Approach. A Minireview
Current Pharmaceutical Design Biofilms in Skin Infections: Propionibacterium acnes and Acne Vulgaris
Infectious Disorders - Drug Targets Protein Aggregation: Elucidation of the Mechanism and Determination of Associated Thermodynamic and Kinetic Parameters
Current Physical Chemistry