Abstract
A set of 70 peptides with affinity for the class I MHC HLA-A*0201 molecule was subjected to quantitative analyses of structure-affinity relationship based on the SCORE function with good results (r2=0.6982, q2=0.6188, RMS=0.280). Then the ‘leave-one-out’ cross-validation (LOO-CV) and an outer test set including 18 outer samples were used to validate the QSAR model, and the results show that the QSAR model has good predictability for outside samples. Statistical analysis showed that the hydrophobic and hydrogen bond interaction played a significant role in peptide-MHC molecule binding. The study also provided useful information for structure modification of CTL epitope, and laid theoretical base for molecular design of therapeutic vaccine.
Keywords: SCORE function, HLA-A*0201, CTL epitope, Affinity, QSAR
Protein & Peptide Letters
Title: Estimation of Affinity of HLA-A*0201 Restricted CTL Epitope Based on the SCORE Function
Volume: 16 Issue: 5
Author(s): Lin Zhi-Hua, Wang Huai-Liang, Zhu Bo, Wang Yuan-Qiang, Lin Yong and Wu Yu-Zhang
Affiliation:
Keywords: SCORE function, HLA-A*0201, CTL epitope, Affinity, QSAR
Abstract: A set of 70 peptides with affinity for the class I MHC HLA-A*0201 molecule was subjected to quantitative analyses of structure-affinity relationship based on the SCORE function with good results (r2=0.6982, q2=0.6188, RMS=0.280). Then the ‘leave-one-out’ cross-validation (LOO-CV) and an outer test set including 18 outer samples were used to validate the QSAR model, and the results show that the QSAR model has good predictability for outside samples. Statistical analysis showed that the hydrophobic and hydrogen bond interaction played a significant role in peptide-MHC molecule binding. The study also provided useful information for structure modification of CTL epitope, and laid theoretical base for molecular design of therapeutic vaccine.
Export Options
About this article
Cite this article as:
Zhi-Hua Lin, Huai-Liang Wang, Bo Zhu, Yuan-Qiang Wang, Yong Lin and Yu-Zhang Wu, Estimation of Affinity of HLA-A*0201 Restricted CTL Epitope Based on the SCORE Function, Protein & Peptide Letters 2009; 16 (5) . https://dx.doi.org/10.2174/092986609788167815
DOI https://dx.doi.org/10.2174/092986609788167815 |
Print ISSN 0929-8665 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5305 |
- 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
-
Patent Selections:
Recent Patents on Anti-Cancer Drug Discovery Bioinformatic Analysis Reveals Key Genes and Pathways in Aging Brain of Senescence-accelerated Mouse P8 (SAMP8)
CNS & Neurological Disorders - Drug Targets Treatment of Pancreatic Cancer with Pharmacological Ascorbate
Current Pharmaceutical Biotechnology Pharmacological Modulation of Reactive Oxygen Species in Cancer Treatment
Current Drug Targets Monoclonal Antibodies in the Treatment of Neuroimmunological Diseases
Current Pharmaceutical Design Targeting Vascular Endothelial Growth Factor Pathway in First-Line Treatment of Metastatic Colorectal Cancer: State-of-the-Art and Future Perspectives in Clinical and Molecular Selection of Patients
Current Cancer Drug Targets Bombacaceae Between the Ethnomedical Uses and Pharmacological Evidences: A Review
The Natural Products Journal Mechanisms Underlying Chemopreventive Effects of Flavonoids via Multiple Signaling Nodes within Nrf2-ARE and AhR-XRE Gene Regulatory Networks
Current Chemical Biology Prediction of Disease-Related Genes Based on Hybrid Features
Current Proteomics The PIK3CA Gene as a Mutated Target for Cancer Therapy
Current Cancer Drug Targets Monitoring T Cell Responses to Cancer Immunotherapy: Can We Now Identify Biomarkers Predicting Patients Who will be Responders
Current Cancer Therapy Reviews Association of p53 with Bid Induces Cell Death in Response to Etoposide Treatment in Hepatocellular Carcinoma
Current Cancer Drug Targets Src Family Kinases: Potential Targets for the Treatment of Human Cancer and Leukemia
Current Pharmaceutical Design Recent Progress in Clinical Development of Therapeutic Antibodies Targeting Glycan-Binding Proteins
Current Drug Targets Cancer Drug Development Using Glucose Metabolism Radiopharmaceuticals
Current Pharmaceutical Design Current Treatment for Cervical Cancer: An Update
Anti-Cancer Agents in Medicinal Chemistry Combinatorial Biosynthesis, Metabolic Engineering and Mutasynthesis for the Generation of New Aminocoumarin Antibiotics
Current Topics in Medicinal Chemistry The Effect of p53-R249S on the Suppression of Hepatocellular Carcinoma Cells Survival Induced by Podophyllum Derivatives
Anti-Cancer Agents in Medicinal Chemistry Deubiquitinating Enzyme Inhibitors and their Potential in Cancer Therapy
Current Cancer Drug Targets Origins, Structures, and Bioactivities of Secondary Metabolites from Marine-derived Penicillium Fungi
Mini-Reviews in Medicinal Chemistry