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
-
Editorial (Thematic Issue: Modulations and their Biological Functions of Protein-Biomolecule Interactions)
Current Topics in Medicinal Chemistry Pharmacologic Therapy for Cardiovascular Risk Reduction in Patients with the Metabolic Syndrome
Current Pharmaceutical Design Vascular Damage in Impaired Glucose Tolerance: An Unappreciated Phenomenon?
Current Pharmaceutical Design The Molecular Mechanisms and the Role of hnRNP K Protein Post- Translational Modification in DNA Damage Repair
Current Medicinal Chemistry Identification of New Pancreatic Beta Cell Targets for In Vivo Imaging by a Systems Biology Approach
Current Pharmaceutical Design From Protein Communication to Drug Discovery
Current Topics in Medicinal Chemistry Neuroretinal Apoptosis as a Vascular Dysfunction in Diabetic Patients
Current Neuropharmacology Melanocortins As Innovative Drugs for Ischemic Diseases and Neurodegenerative Disorders: Established Data and Perspectives
Current Medicinal Chemistry Evaluation of Insulin Resistance Induced Brain Tissue Dysfunction in Obese Dams and their Neonates: Role of Ipriflavone Amelioration
Combinatorial Chemistry & High Throughput Screening Editorial (Thematic Issue: Advances in Peptides as Therapeutic Drugs)
Current Topics in Medicinal Chemistry Nanoparticle Systems Modulating Myeloid-Derived Suppressor Cells for Cancer Immunotherapy
Current Topics in Medicinal Chemistry UDP-Glucuronosyltransferases
Current Drug Metabolism Topical Application of Escherichia coli Particles Over-Producing Pathogen-Derived Antigens as a Simple Vaccination Modality in Compliance with Evolutionary Medicine
Infectious Disorders - Drug Targets Gene Vectors for Cytokine Expression In Vivo
Current Pharmaceutical Design Cytokines and their Antagonists as Therapeutic Agents
Current Medicinal Chemistry Recent Patents in siRNA Delivery Employing Nanoparticles as Delivery Vectors
Recent Patents on DNA & Gene Sequences Cytotoxic Effects on B Lymphocytes Mediated by Reactive Oxygen Species
Current Pharmaceutical Design The Roles of the PDZ-containing Proteins Bridge-1 and PDZD2 in the Regulation of Insulin Production and Pancreatic Beta-Cell Mass
Current Protein & Peptide Science Identification of Candidate Immune System MicroRNAs Differentially Found in Colostrum and Milk Exosomes
MicroRNA Targeting of NF-kappaB Signaling Pathway, other Signaling Pathways and Epigenetics in Therapy of Multiple Myeloma
Cardiovascular & Hematological Disorders-Drug Targets