Abstract
Both fluorescence spectroscopic and molecular docking methods were used to investigate the interaction between bovine serum albumin (BSA) and a known Bcl-xl/Bcl-2 inhibitor HA 14-1. Based on the spectral overlap between the emission of BSA and absorption of HA 14-1, Forster energy transfer was proposed to be the possible quenching mechanism. The Stern-Volmer constants are 2.49 x 104, 2.04x 104 and 0.90 x 104 M-1 at 293, 303 and 318 K, respectively, indicating that a static quenching process dominates. Thermodynamic parameters were further obtained. The derived negative Δ H (-27.51 kJ mol-1) and Δ S (-11.11 J mol-1K-1) values suggest hydrogen bond interaction and van der Waals force are the main binding force. The docking study was performed on BSA model. According to the docking score and the number of hydrogen bonds, the potential binding site for HA 14-1 is proposed to be the site IIA, also known as drug site 1.
Keywords: Binding site, BSA, fluorescence quenching, molecular docking, stern-volmer equation
Protein & Peptide Letters
Title:Binding of a bcl-2 Family Inhibitor to Bovine Serum Albumin: Fluorescence Quenching and Molecular Docking Study
Volume: 19 Issue: 9
Author(s): Rui Zhao, Yonghua Xie, Ying Tan, Chunyan Tan and Yuyang Jiang
Affiliation:
Keywords: Binding site, BSA, fluorescence quenching, molecular docking, stern-volmer equation
Abstract: Both fluorescence spectroscopic and molecular docking methods were used to investigate the interaction between bovine serum albumin (BSA) and a known Bcl-xl/Bcl-2 inhibitor HA 14-1. Based on the spectral overlap between the emission of BSA and absorption of HA 14-1, Forster energy transfer was proposed to be the possible quenching mechanism. The Stern-Volmer constants are 2.49 x 104, 2.04x 104 and 0.90 x 104 M-1 at 293, 303 and 318 K, respectively, indicating that a static quenching process dominates. Thermodynamic parameters were further obtained. The derived negative Δ H (-27.51 kJ mol-1) and Δ S (-11.11 J mol-1K-1) values suggest hydrogen bond interaction and van der Waals force are the main binding force. The docking study was performed on BSA model. According to the docking score and the number of hydrogen bonds, the potential binding site for HA 14-1 is proposed to be the site IIA, also known as drug site 1.
Export Options
About this article
Cite this article as:
Zhao Rui, Xie Yonghua, Tan Ying, Tan Chunyan and Jiang Yuyang, Binding of a bcl-2 Family Inhibitor to Bovine Serum Albumin: Fluorescence Quenching and Molecular Docking Study, Protein & Peptide Letters 2012; 19 (9) . https://dx.doi.org/10.2174/092986612802084401
DOI https://dx.doi.org/10.2174/092986612802084401 |
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
-
Design, Synthesis and In Vitro Anti-Cancer Evaluation of Novel Derivatives of 2-(2-Methyl-1,5-diaryl-1H-pyrrol-3-yl)-2-oxo-N-(pyridin-3- yl)acetamide
Medicinal Chemistry Synthesis of New Curcumin-like Pentadienones by O- and C-glycosylation
Current Organic Chemistry Molecular Field Analysis (MFA) and Other QSAR Techniques in Development of Phosphatase Inhibitors
Anti-Cancer Agents in Medicinal Chemistry Dysfunction of Mitochondrial ATP Production As a Target for Personalized Cancer Therapy
Current Pharmacogenomics and Personalized Medicine Phytochemicals for Drug Discovery in Alzheimer’s Disease: <i>In Silico</i> Advances
Current Pharmaceutical Design Anti-Interleukin-6 Receptor Antibody Therapy in Rheumatic Diseases
Endocrine, Metabolic & Immune Disorders - Drug Targets Recent Advances in the Synthesis of 1-Monosubstituted 1,2,3-Triazoles
Mini-Reviews in Medicinal Chemistry Polymer Membrane and Cell Models for Drug Discovery
Combinatorial Chemistry & High Throughput Screening MicroRNA in the Pathogenesis and Prognosis of Esophageal Cancer
Current Pharmaceutical Design Meet Our Editorial Board Member
Current Medicinal Chemistry Pharmacological Properties and Therapeutic Possibilities for Drugs Acting Upon Endocannabinoid Receptors
Current Drug Targets - CNS & Neurological Disorders Targeting Lipoxygenases (LOs): Drug Design And Discovery
Current Enzyme Inhibition Synthesis of Aryl-Substituted Naphthalenoids as Potent Topoisomerase Inhibitors
Medicinal Chemistry Meet Our Editorial Board Member:
The Natural Products Journal Experimental Methods and Transport Models for Drug Delivery Across the Blood-Brain Barrier
Current Pharmaceutical Biotechnology The Effects of Drug Metabolizing Enzyme Inhibitors on Hepatic Efflux and Uptake Transporters
Drug Metabolism Letters Dynamic Simulations of Pathways Downstream of ERBB-Family, Including Mutations and Treatments: Concordance with Experimental Results
Current Cancer Drug Targets Optimization of the Enzymolysis Conditions for Scorpion Peptides and Evaluation of its Antitumor Activity
Current Signal Transduction Therapy Applicability and Approaches of (Meth) Acrylate Copolymers (Eudragits) in Novel Drug Delivery Systems
Current Drug Therapy Novel Combination Oncolytic Adenoviral Gene Therapy Armed with Dm-dNK and CD40L for Breast Cancer
Current Gene Therapy