Abstract
In a computational study using the force field method MM+, the known anticancer drug Titanocene Y was reacted with its biological target, which is believed to be double-stranded DNA. It was found that after the loss of two chloride ligands, the substituted titanocene dication conveniently coordinates strongly to a phosphate group by replacing a counter ion. In addition, the two p-methoxybenzyl groups have exactly the right length and flexibility to coordinate to two sodium counter ions bonded to two neighbouring phosphate groups, which allows Titanocene Y to become a chelating ligand strongly bonded to the surface of double-stranded DNA.
Keywords: Anticancer drug, Titanocene, DNA, Phosphate backbone, Chelating ligand
Letters in Drug Design & Discovery
Title: The Interaction of Titanocene Y with Double-Stranded DNA: A Computational Study
Volume: 5 Issue: 5
Author(s): Matthias Tacke
Affiliation:
Keywords: Anticancer drug, Titanocene, DNA, Phosphate backbone, Chelating ligand
Abstract: In a computational study using the force field method MM+, the known anticancer drug Titanocene Y was reacted with its biological target, which is believed to be double-stranded DNA. It was found that after the loss of two chloride ligands, the substituted titanocene dication conveniently coordinates strongly to a phosphate group by replacing a counter ion. In addition, the two p-methoxybenzyl groups have exactly the right length and flexibility to coordinate to two sodium counter ions bonded to two neighbouring phosphate groups, which allows Titanocene Y to become a chelating ligand strongly bonded to the surface of double-stranded DNA.
Export Options
About this article
Cite this article as:
Tacke Matthias, The Interaction of Titanocene Y with Double-Stranded DNA: A Computational Study, Letters in Drug Design & Discovery 2008; 5 (5) . https://dx.doi.org/10.2174/157018008784912036
DOI https://dx.doi.org/10.2174/157018008784912036 |
Print ISSN 1570-1808 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-628X |
- 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
Related Articles
-
Bitter Gourd (Momordica charantia) is a Cornucopia of Health: A Review of its Credited Antidiabetic, Anti-HIV, and Antitumor Properties
Current Molecular Medicine Sphingolipid Metabolism and Leukemia: A Potential for Novel Therapeutic Approaches
Anti-Cancer Agents in Medicinal Chemistry Dasatinib: An Anti-Tumour Agent via Src Inhibition
Current Drug Targets Radiolabeled Nanoparticles for Cancer Diagnosis and Therapy
Anti-Cancer Agents in Medicinal Chemistry The Metabolism and Toxicity of Quinones, Quinonimines, Quinone Methides, and Quinone-Thioethers
Current Drug Metabolism Matrix Metalloproteinase Inhibitors as Prospective Agents for the Prevention and Treatment of Cardiovascular and Neoplastic Diseases
Current Topics in Medicinal Chemistry Glioma: Tryptophan Catabolite and Melatoninergic Pathways Link microRNA, 14-3- 3, Chromosome 4q35, Epigenetic Processes and other Glioma Biochemical Changes
Current Pharmaceutical Design Induction of Regulatory T Cells by Dendritic Cells through Indoleamine 2,3- dioxygenase: A Potent Mechanism of Acquired Peripheral Tolerance
Current Medicinal Chemistry Differences in Phosphorylated Histone H2AX Foci Formation and Removal of Cells Exposed to Low and High Linear Energy Transfer Radiation
Current Genomics The Glycogen Synthase Kinase-3 in the Regulation of Ion Channels and Cellular Carriers
Current Medicinal Chemistry Genome-wide Differential-based Analysis of the Relationship between DNA Methylation and Gene Expression in Cancer
Current Bioinformatics A Computer - Aided Drug Designing for Pharmacological Inhibition of Mutant ALK for the Treatment of Non-small Cell Lung Cancer
Current Topics in Medicinal Chemistry Recent Developments in Targeted Therapies of the RAF-MEK and PI3KAKT Pathways in Cancer Treatment
Current Cancer Therapy Reviews Glucose-6-Phosphate Dehydrogenase Deficiency: Disadvantages and Possible Benefits
Cardiovascular & Hematological Disorders-Drug Targets Characterization and Management of Cutaneous Side Effects Related to the Immunosuppressive Treatment in Solid Organ Recipients
Current Drug Targets Clinical Pharmacogenetics in Oncology: the Paradigm of Molecular Targeted Therapies
Current Pharmaceutical Design Diacylglycerol Kinases as Emerging Potential Drug Targets for a Variety of Diseases
Current Drug Targets Hypoxia Inducible Factor-1 in Cancer Immune Suppression
Current Immunology Reviews (Discontinued) Immunogenicity and Tumorigenicity of Pluripotent Stem Cells and their Derivatives: Genetic and Epigenetic Perspectives
Current Stem Cell Research & Therapy Interplay between RNA Methylation Eraser <i>FTO</i> and Writer <i>METTL3</i> in Renal Clear Cell Carcinoma Patient Survival
Recent Patents on Anti-Cancer Drug Discovery