Abstract
Guanine-rich sequences found at telomeres and oncogenes have the capacity to form G-quadruplex (G4) structures. It has been found a relationship between the ability to stabilizing G4 structures and anticancer activity. Guanine quadruplexes stabilization and its implication in cancer phenomena is a therapeutic target relatively recent. Computeraided drug design has been a very useful tool for the search of new candidates. In last years, methodologies have improved with the development of the computational sciences. The hardware is also enhanced, new techniques are explored. NMR and X-ray information about different targets are discovered continually. The continuous augmentation of new powerful and comprehensive software’s with this purpose is other significant factor that contributes to the discovering of new compounds. Nevertheless computer-aided drug design has not been vastly employed in the design of new compound with G4 stabilization activity. All things considered, this review will be focused on the influence of computational techniques on speeding up the discovery of new G4 ligands.
Keywords: Cancer, drug design, G-quadruplex, oncogenes
Current Topics in Medicinal Chemistry
Title:Computational Tools in the Discovery of New G-Quadruplex Ligands with Potential Anticancer Activity
Volume: 12 Issue: 24
Author(s): Daimel Castillo-Gonzalez, Gisselle Perez-Machado, Federico Pallardo, Teresa-Maria Garrigues-Pelufo and Miguel-Angel Cabrera-Perez
Affiliation:
Keywords: Cancer, drug design, G-quadruplex, oncogenes
Abstract: Guanine-rich sequences found at telomeres and oncogenes have the capacity to form G-quadruplex (G4) structures. It has been found a relationship between the ability to stabilizing G4 structures and anticancer activity. Guanine quadruplexes stabilization and its implication in cancer phenomena is a therapeutic target relatively recent. Computeraided drug design has been a very useful tool for the search of new candidates. In last years, methodologies have improved with the development of the computational sciences. The hardware is also enhanced, new techniques are explored. NMR and X-ray information about different targets are discovered continually. The continuous augmentation of new powerful and comprehensive software’s with this purpose is other significant factor that contributes to the discovering of new compounds. Nevertheless computer-aided drug design has not been vastly employed in the design of new compound with G4 stabilization activity. All things considered, this review will be focused on the influence of computational techniques on speeding up the discovery of new G4 ligands.
Export Options
About this article
Cite this article as:
Castillo-Gonzalez Daimel, Perez-Machado Gisselle, Pallardo Federico, Garrigues-Pelufo Teresa-Maria and Cabrera-Perez Miguel-Angel, Computational Tools in the Discovery of New G-Quadruplex Ligands with Potential Anticancer Activity, Current Topics in Medicinal Chemistry 2012; 12 (24) . https://dx.doi.org/10.2174/1568026611212240010
DOI https://dx.doi.org/10.2174/1568026611212240010 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
Call for Papers in Thematic Issues
Chemistry Based on Natural Products for Therapeutic Purposes
The development of new pharmaceuticals for a wide range of medical conditions has long relied on the identification of promising natural products (NPs). There are over sixty percent of cancer, infectious illness, and CNS disease medications that include an NP pharmacophore, according to the Food and Drug Administration. Since NP ...read more
Current Trends in Drug Discovery Based on Artificial Intelligence and Computer-Aided Drug Design
Drug development discovery has faced several challenges over the years. In fact, the evolution of classical approaches to modern methods using computational methods, or Computer-Aided Drug Design (CADD), has shown promising and essential results in any drug discovery campaign. Among these methods, molecular docking is one of the most notable ...read more
Drug Discovery in the Age of Artificial Intelligence
In the age of artificial intelligence (AI), we have witnessed a significant boom in AI techniques for drug discovery. AI techniques are increasingly integrated and accelerating the drug discovery process. These developments have not only attracted the attention of academia and industry but also raised important questions regarding the selection ...read more
From Biodiversity to Chemical Diversity: Focus of Flavonoids
Flavonoids are the largest group of polyphenols, plant secondary metabolites arising from the essential aromatic amino acid phenylalanine (or more rarely from tyrosine) via the phenylpropanoid pathway. The flavan nucleus is the basic 15-carbon skeleton of flavonoids (C6-C3-C6), which consists of two phenyl rings (A and B) and a heterocyclic ...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
-
Fasting Insulin and Risk of Cancer Related Mortality in Non-diabetic Adults: A Dose-response Meta-analysis of Cohort Studies
Current Diabetes Reviews Role of MicroRNA 21 in Mesenchymal Stem Cell (MSC) Differentiation: A Powerful Biomarker in MSCs Derived Cells
Current Pharmaceutical Biotechnology Novel Neuroendocrine and Metabolic Mechanism Provides the Patented Platform for Important Rejuvenation Therapies: Targeted Therapy of Telomere Attrition and Lifestyle Changes of Telomerase Activity with the Timing of Neuron-Specific Imidazole-Containing Dipeptide-Dominant Pharmaconutrition Provision
Recent Patents on Endocrine, Metabolic & Immune Drug Discovery The Difficulties in the Management of Breast Cancer and Pregnancy
Reviews on Recent Clinical Trials Benzimidazoles: An Ideal Privileged Drug Scaffold for the Design of Multitargeted Anti-inflammatory Ligands
Mini-Reviews in Medicinal Chemistry Status Quo in Antibody-Drug Conjugates - Can Glyco- Enzymes Solve the Current Challenges?
Protein & Peptide Letters Inhibition of TGF- Signaling for the Treatment of Tumor Metastasis and Fibrotic Diseases
Current Signal Transduction Therapy Recent Study of Dual HDAC/PARP Inhibitor for the Treatment of Tumor
Current Topics in Medicinal Chemistry Disorders of Mechanisms of Calcium Metabolism Control as Potential Risk Factors of Prostate Cancer
Current Medicinal Chemistry TRAIL-Based Therapeutic Approaches for the Treatment of Pediatric Malignancies
Current Medicinal Chemistry DNA Repair and Resistance to Topoisomerase I Inhibitors: Mechanisms, Biomarkers and Therapeutic Targets
Current Medicinal Chemistry Identification of Multiple Subcellular Locations for Proteins in Budding Yeast
Current Bioinformatics Meet Our Associate Editor:
Current Molecular Medicine Editorial [Hot Topic: Prebiotics and Probiotics: Delivering Therapeutics as Dietary Components (Executive Editor: Colum Dunne)]
Current Pharmaceutical Design Glutathione Peroxidase: A Potential Marker for the Most Common Diseases and Disorders
Recent Patents on Biomarkers Novel Inhibitors of Inosine Monophosphate Dehydrogenase in Patent Literature of the Last Decade
Recent Patents on Anti-Cancer Drug Discovery Targeting the Hedgehog Signaling Pathway with Small Molecules
Anti-Cancer Agents in Medicinal Chemistry The Gut Microbiota in Inflammatory Bowel Disease
Current Pharmaceutical Design Hepatitis C Virus Infection and Antiviral Treatment in Marginal Zone Lymphomas
Current Clinical Pharmacology Indolinones as Promising Scaffold as Kinase Inhibitors: A Review
Mini-Reviews in Medicinal Chemistry