Abstract
Src family kinases (SFKs) are a group of non-receptor tyrosine kinases whose activity is involved in the regulation of cellular morphology, motility, proliferation and survival. An aberrant activation and expression of these kinases contribute to the pathogenesis and progression of a broad range of diseases, such as a large number of solid tumors, various hematological malignancies and some neuronal pathologies. The search for SFK inhibitors is therefore a promising research topic in medicinal chemistry. Computational studies such as receptor-based and/or ligand-based virtual screening, docking, and molecular modeling proved to be a powerful tool for identifying new SFKs inhibitors. In this review we report and analyze the main examples of computational approaches that allowed the identification of new SFKs ligands and the optimization of either activity and pharmacokinetic profile of lead compounds.
Keywords: c-Src, Fyn, Hck, Lck, Lyn, Src family kinases, virtual screening, yes.
Current Medicinal Chemistry
Title:Computational Approaches for the Identification and Optimization of Src Family Kinases Inhibitors
Volume: 21 Issue: 28
Author(s): G. Poli, A. Martinelli and T. Tuccinardi
Affiliation:
Keywords: c-Src, Fyn, Hck, Lck, Lyn, Src family kinases, virtual screening, yes.
Abstract: Src family kinases (SFKs) are a group of non-receptor tyrosine kinases whose activity is involved in the regulation of cellular morphology, motility, proliferation and survival. An aberrant activation and expression of these kinases contribute to the pathogenesis and progression of a broad range of diseases, such as a large number of solid tumors, various hematological malignancies and some neuronal pathologies. The search for SFK inhibitors is therefore a promising research topic in medicinal chemistry. Computational studies such as receptor-based and/or ligand-based virtual screening, docking, and molecular modeling proved to be a powerful tool for identifying new SFKs inhibitors. In this review we report and analyze the main examples of computational approaches that allowed the identification of new SFKs ligands and the optimization of either activity and pharmacokinetic profile of lead compounds.
Export Options
About this article
Cite this article as:
Poli G., Martinelli A. and Tuccinardi T., Computational Approaches for the Identification and Optimization of Src Family Kinases Inhibitors, Current Medicinal Chemistry 2014; 21 (28) . https://dx.doi.org/10.2174/0929867321666140706144419
DOI https://dx.doi.org/10.2174/0929867321666140706144419 |
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
-
Vitamin E and All-Cause Mortality: A Meta-Analysis
Current Aging Science Extracellular HSP90: An Emerging Target for Cancer Therapy
Current Signal Transduction Therapy Application and Future Prospect of Extracellular Matrix Targeted Nanomaterials in Tumor Theranostics
Current Drug Targets Role of Natural Phenolic Compounds in Cancer Chemoprevention via Regulation of the Cell Cycle
Current Pharmaceutical Biotechnology Recent Trend for EGFR-Based and ALK-Based Targets: A Patent Analysis
Recent Patents on Anti-Cancer Drug Discovery Recent Advances in Pharmacological Interventions of Chronic Prostatitis/ Chronic Pelvic Pain Syndrome
Current Pharmaceutical Design Systemic Delivery of Curcumin: 21st Century Solutions for an Ancient Conundrum
Current Drug Discovery Technologies The Scatter Factor Signaling Pathways as Therapeutic Associated Target in Cancer Treatment
Current Medicinal Chemistry Epi-Drugs and Epi-miRs: Moving Beyond Current Cancer Therapies
Current Cancer Drug Targets Molecular Mechanisms of Anti-cancer Activities of β-elemene: Targeting Hallmarks of Cancer
Anti-Cancer Agents in Medicinal Chemistry Cytochrome P450 Gene Polymorphism and Cancer
Current Drug Metabolism Phytoestrogens and Mitochondrial Biogenesis in Breast Cancer. Influence of Estrogen Receptors Ratio
Current Pharmaceutical Design Inflammatory and Non-Inflammatory Roles for Toll-Like Receptors in Gastrointestinal Cancer
Current Pharmaceutical Design MicroRNAs: A Novel Non-Invasive Biomarker for Patients with Urological Malignancies
Current Pharmaceutical Biotechnology Labeling Polyamidoamine (PAMAM) Dendrimers with Technetium-99m via Hydrazinonicotinamide (HYNIC)
Current Radiopharmaceuticals Pharmacokinetic Distribution of 67Cu(II)2[3,5-Diisopropyl(Carboxy- 14C)Salicylate]4 Among Murine Tissues
Current Medicinal Chemistry The Proteolytic Activation of Angiogenic and Lymphangiogenic Growth Factors in Cancer – Its Potential Relevance for Therapeutics and Diagnostics
Current Medicinal Chemistry The Biological Activity of the Novel Vinca Alkaloids 4-chlorochablastine and 4-chlorochacristine
Current Cancer Drug Targets Anti-IL-13 in Inflammatory Bowel Disease: From the Bench to the Bedside
Current Drug Targets Vaccination Against Angiogenesis-Associated Antigens: A Novel Cancer Immunotherapy Strategy
Current Molecular Medicine