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 |

- Author Guidelines
- Editorial Policies
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Allegations from Whistleblowers
- Publishing Ethics and Rectitude
- Increase Visibility Of Your Article
- Archiving Policies
- Reviewer Guidelines
- Guest Editor Guidelines
- Board Recruitment Workflow
- Short Guide for New Editors
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Announcements
- Forthcoming Thematic Issues
Related Articles
-
Microarrays and Colon Cancer in the Road for Translational Medicine
Current Bioinformatics Cause and Consequences of Genetic and Epigenetic Alterations in Human Cancer
Current Genomics Lesson Learned from Nature for the Development of Novel Anti-Cancer Agents: Implication of Isoflavone, Curcumin, and their Synthetic Analogs
Current Pharmaceutical Design Tumor Thermal Ablation Enhancement by Micromaterials
Current Drug Delivery FRET Based Ratio-Metric Sensing of Hyaluronidase in Synthetic Urine as a Biomarker for Bladder and Prostate Cancer
Current Pharmaceutical Biotechnology Purinergic Receptors and Pain
Current Pharmaceutical Design ANTI-ADHESION Evolves To a Promising Therapeutic Concept in Oncology
Current Medicinal Chemistry An Update on the Other Telomerase Inhibitors: Non-G-Quadruplex Interactive Agent, Non-Antisense, Non-Reverse Transcriptase Telomerase Inhibitors
Medicinal Chemistry Reviews - Online (Discontinued) Hyperpolarized 13Carbon MR
Current Pharmaceutical Biotechnology Development of Microwave Antennas for Thermal Therapy
Current Pharmaceutical Design Nitric Oxide and the Regulation of Apoptosis in Tumour Cells
Current Pharmaceutical Design Neurocysticercosis: The Enigmatic Disease
Central Nervous System Agents in Medicinal Chemistry Carcinogenicity and Chronic Rodent Toxicity of the Selective Progesterone Receptor Modulator Ulipristal Acetate
Current Drug Safety Disintegrins
Current Drug Targets - Cardiovascular & Hematological Disorders Defining Features and Exploring Chemical Modifications to Manipulate RNAa Activity
Current Pharmaceutical Biotechnology The Sour Taste-Modifying Protein (Miraculin), Tyrosinase Inhibitors and Antioxidants from Synsepalum dulcificum
Current Nutrition & Food Science Engineering Three-Dimensional Cardiac Microtissues for Potential Drug Screening Applications
Current Medicinal Chemistry Enhanced Oral Bioavailability of Etodolac by the Liquisolid Compact Technique: Optimisation, In-Vitro and In-Vivo Evaluation
Current Drug Delivery Hypoxia: Targeting the Tumour
Anti-Cancer Agents in Medicinal Chemistry Mining the Dark Matter of the Cancer Proteome for Novel Biomarkers
Current Cancer Therapy Reviews