Abstract
1R,25-Dihydroxyvitamin D3, the hormonally active form of vitamin D3, besides regulating the homeostasis of calcium and classical bone mineralization, also promotes cellular differentiation and induces some biological functions related to the immunological system. Extensive structure-function studies have shown that it is possible to modify the calcitriol structure to obtain vitamin D3 analogs that are capable of inducing, in a selective manner, the biological functions related to the same hormone. In this article, we revised QSAR studies with conceptual parameters such as flexibility of rotation, probability of availability, etc. we then used the method of regression analysis and QSAR studies in order to understand the essential structural requirement for binding with receptor. Next, we reviewed Radial Distribution Function, 4DQSAR, CoMFA and Docking with different compounds to find out the structural requirements for GSK-3 inhibitory activity.
Keywords: QSAR, COMFA, docking, vitamin D3, calcitriol, Drosophila melanogaster, Nuclear Receptor, DNA Binding Receptor, trans-amide bond., metabolic stability, Radial Distribution Function, Multiple Linear Regression, Genetic Algorithm, TR1 ligands
Current Bioinformatics
Title: Trends in Bioinformatics and Chemoinformatics of Vitamin D Analogs and Their Protein Targets
Volume: 6 Issue: 1
Author(s): Isela García, Yagamare Fall and Generosa Gomez
Affiliation:
Keywords: QSAR, COMFA, docking, vitamin D3, calcitriol, Drosophila melanogaster, Nuclear Receptor, DNA Binding Receptor, trans-amide bond., metabolic stability, Radial Distribution Function, Multiple Linear Regression, Genetic Algorithm, TR1 ligands
Abstract: 1R,25-Dihydroxyvitamin D3, the hormonally active form of vitamin D3, besides regulating the homeostasis of calcium and classical bone mineralization, also promotes cellular differentiation and induces some biological functions related to the immunological system. Extensive structure-function studies have shown that it is possible to modify the calcitriol structure to obtain vitamin D3 analogs that are capable of inducing, in a selective manner, the biological functions related to the same hormone. In this article, we revised QSAR studies with conceptual parameters such as flexibility of rotation, probability of availability, etc. we then used the method of regression analysis and QSAR studies in order to understand the essential structural requirement for binding with receptor. Next, we reviewed Radial Distribution Function, 4DQSAR, CoMFA and Docking with different compounds to find out the structural requirements for GSK-3 inhibitory activity.
Export Options
About this article
Cite this article as:
García Isela, Fall Yagamare and Gomez Generosa, Trends in Bioinformatics and Chemoinformatics of Vitamin D Analogs and Their Protein Targets, Current Bioinformatics 2011; 6 (1) . https://dx.doi.org/10.2174/157489311795222383
DOI https://dx.doi.org/10.2174/157489311795222383 |
Print ISSN 1574-8936 |
Publisher Name Bentham Science Publisher |
Online ISSN 2212-392X |
- 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
-
Characterizing the Binding of Angiotensin Converting Enzyme I Inhibitory Peptide to Human Hemoglobin: Influence of Electromagnetic Fields
Protein & Peptide Letters MicroRNAs as Candidate Drug Targets for Cardiovascular Diseases
Current Drug Targets Endocrine Orchestration of Cardiovascular, Gastrointestinal and Hypothalamic Control
Current Medicinal Chemistry Antioxidant Capacity, Phytochemical Analysis and Identification of Active Compounds in Anchomanes difformis
The Natural Products Journal How to Identify Subjects with Poly-Vascular Disease?
Current Vascular Pharmacology Regulation of Blood Pressure by D5 Dopamine Receptors
Cardiovascular & Hematological Agents in Medicinal Chemistry Lipoprotein (a) and Cardiovascular Risk: The Show Must go on
Current Medicinal Chemistry Adverse Effects of Cigarette Smoke and Induction of Oxidative Stress in Cardiomyocytes and Vascular Endothelium
Current Pharmaceutical Design Drug release from ordered mesoporous silicas
Current Pharmaceutical Design Editorial(Thematic Issue: Hypertension and Diabetes – Update in 2013)
Current Hypertension Reviews Radziszewski Reaction: An Elegant, Easy, Simple and Efficient Method to Synthesise Imidazoles
Current Organic Synthesis Perivascular Adipose Tissue, Inflammation and Vascular Dysfunction in Obesity
Current Vascular Pharmacology Effectiveness of Long-Term Macrolide Therapy in Cryptogenic Organising Pneumonia
Current Respiratory Medicine Reviews Design, Synthesis and Preliminary Evaluation of Novel Imperatorin Derivatives as Vasorelaxant Agents
Medicinal Chemistry Genetic Variability of Matrix Metalloproteinase Genes in Cardiovascular Disease
Current Topics in Medicinal Chemistry Granulocyte Colony-stimulating Factor and Bone Marrow Mononuclear Cells for Stroke Treatment in the Aged Brain
Current Neurovascular Research 12-Lipoxygenase: A Potential Target for Novel Anti-Platelet Therapeutics
Cardiovascular & Hematological Agents in Medicinal Chemistry Roles of CLR/RAMP Receptor Signaling in Reproduction and Development
Current Protein & Peptide Science Hemodynamic Regulation of Metallopeptidases within the Vasculature
Protein & Peptide Letters Microbiome Regulation of Autoimmune, Gut and Liver Associated Diseases
Inflammation & Allergy - Drug Targets (Discontinued)