Abstract
In the circulatory system, serum albumin (SA) is an important transporter of the majority of molecules with biological activity. We focused the current study on the anti-inflammatory compound, o-alkylselenenylated benzoic acid (ALKSEBEA), to determine its ability to access SA. Herein, we employed experimental procedures (fluorescence studies, Raman spectroscopy) and docking study on SA obtained from the Protein Data Bank and key conformers obtained from molecular dynamics simulations. The results show that ALKSEBEA accesses SA using a cooperative behavior according to fluorescence studies. In addition, the Raman results indicate that the ligand binding affects the backbone constituents. These results were confirmed by docking simulations tested on several SA conformers, which showed that ALKSEBEA bound on several sites on SA via π-π or π-cation interactions and that the ligand reaches other binding sites, where aromatic and basic residues as well as the backbone residues are involved.
Keywords: Serum albumin, selenium, fluorescence and Raman spectroscopy, molecular dynamics and docking simulations.
Protein & Peptide Letters
Title:o-Alkylselenenylated Benzoic Acid Accesses Several Sites in Serum Albumin According to Fluorescence Studies, Raman Spectroscopy and Theoretical Simulations
Volume: 20 Issue: 6
Author(s): Federico Martinez-Ramos, Yadira Fonseca-Sabater, Marvin A. Soriano-Ursua, Eduardo Torres, Martha C. Rosales-Hernandez, Jose G. Trujillo-Ferrara, Luis E. Tolentino-Lopez, Ilizaliturri-Flores Ian and Jose Correa-Basurto
Affiliation:
Keywords: Serum albumin, selenium, fluorescence and Raman spectroscopy, molecular dynamics and docking simulations.
Abstract: In the circulatory system, serum albumin (SA) is an important transporter of the majority of molecules with biological activity. We focused the current study on the anti-inflammatory compound, o-alkylselenenylated benzoic acid (ALKSEBEA), to determine its ability to access SA. Herein, we employed experimental procedures (fluorescence studies, Raman spectroscopy) and docking study on SA obtained from the Protein Data Bank and key conformers obtained from molecular dynamics simulations. The results show that ALKSEBEA accesses SA using a cooperative behavior according to fluorescence studies. In addition, the Raman results indicate that the ligand binding affects the backbone constituents. These results were confirmed by docking simulations tested on several SA conformers, which showed that ALKSEBEA bound on several sites on SA via π-π or π-cation interactions and that the ligand reaches other binding sites, where aromatic and basic residues as well as the backbone residues are involved.
Export Options
About this article
Cite this article as:
Martinez-Ramos Federico, Fonseca-Sabater Yadira, Soriano-Ursua Marvin A., Torres Eduardo, Rosales-Hernandez Martha C., Trujillo-Ferrara Jose G., Tolentino-Lopez Luis E., Ian Ilizaliturri-Flores and Correa-Basurto Jose, o-Alkylselenenylated Benzoic Acid Accesses Several Sites in Serum Albumin According to Fluorescence Studies, Raman Spectroscopy and Theoretical Simulations, Protein & Peptide Letters 2013; 20 (6) . https://dx.doi.org/10.2174/0929866511320060009
DOI https://dx.doi.org/10.2174/0929866511320060009 |
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
-
Self-care improvement after a pharmaceutical intervention in elderly type 2 diabetic patients
Current Diabetes Reviews Gadd45 Proteins as Critical Signal Transducers Linking NF-κB to MAPK Cascades
Current Cancer Drug Targets Embryonic Stem Cell-Based Screen for Small Molecules: Cluster Analysis Reveals Four Response Patterns in Developing Neural Cells
Current Medicinal Chemistry Effect of Dietary Supplementation of Black Seed (N. Sativa L.) on Lipid Profile of Patients Suffering from Diabetes
Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry Modulation of ABC Transporters by Nuclear Receptors: Physiological, Pathological and Pharmacological Aspects
Current Medicinal Chemistry Polyunsaturated Fatty Acids in Pregnancy and Metabolic Syndrome: A Review
Current Pharmaceutical Biotechnology Nucleic Acids Modulate Autoimmunity Through Nucleic-Acid-Specific Toll-Like Receptors
Current Medicinal Chemistry Novel Anti-Inflammatory-Pro-Resolving Mediators and Their Receptors
Current Topics in Medicinal Chemistry Telaprevir: A Promising Protease Inhibitor for the Treatment of Hepatitis C Virus Infection
Current Medicinal Chemistry Hypoxia and Radiation Therapy: Past History, Ongoing Research, and Future Promise
Current Molecular Medicine Combined Treatment with PPAR-γ Agonists in Pancreatic Cancer: A Glimmer of Hope for Cancer Therapy?
Current Cancer Drug Targets A Proteomic Approach To Porcine Saliva
Current Protein & Peptide Science Atorvastatin May Correct Dyslipidemia in Adult Patients at Risk for Alzheimer’s Disease Through an Anti-Inflammatory Pathway
CNS & Neurological Disorders - Drug Targets Importance of Commensal and Probiotic Bacteria in Human Health
Current Immunology Reviews (Discontinued) Animal Venom Peptides: Potential for New Antimicrobial Agents
Current Topics in Medicinal Chemistry Type 3 Diabetes Mellitus: A Novel Implication of Alzheimers Disease
Current Topics in Medicinal Chemistry Introduction: Hepatocyte Growth Factor and Met Receptor, from Discovery to Therapeutic Implications
Current Signal Transduction Therapy Potential Drug Targets Against Hepatitis B Virus Based on Both Virus and Host Factors
Current Drug Targets Patent Selections:
Recent Patents on Regenerative Medicine A Review on Natural Products for Controlling Type 2 Diabetes with an Emphasis on their Mechanisms of Actions
Current Diabetes Reviews