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Exploring Structural Change Of Protein Bovine Serum Albumin By External Perturbation Using Extrinsic Fluorescence Probe: Spectroscopic Measurement, Molecular Docking And Molecular Dynamics Simulation.

Sankar Jana, S. Ghosh, Sasanka Dalapati, N. Guchhait
Published 2012 · Chemistry, Medicine

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Structural modification through binding interaction of plasma protein bovine serum albumin (BSA) with an extrinsic charge transfer fluorophore 5-(4-dimethylamino-phenyl)-penta-2,4-dienoic acid (DMAPPDA) and its response to external perturbation due to interactions with surfactant sodium dodecyl sulphate (SDS) have been explored at physiological pH by steady state absorption, emission, fluorescence anisotropy, red edge excitation shift, far-UV circular dichroism and time resolved spectral measurements in combination with Molecular Docking and Molecular Dynamics (MD) simulation. Interaction of the probe with BSA is reflected by a small change in protein secondary structure with fluorescence enhancement and blue shift of probe emission. Molecular docking studies revealed that the probe binds to the hydrophobic cavity of sub-domain IIA of BSA. The distance for energy transfer from the tryptophan of BSA to the bound DMAPPDA measured by Fluorescence Resonance Energy Transfer is in good agreement with the molecular docking results. MD simulation predicts stabilization of the complex with respect to the bare molecule. Interaction of BSA and SDS with DMAPPDA supports the movement of the probe from hydrophilic free water region to a more restricted hydrophobic zone inside the protein.
This paper references
Investigating 2,2'-bipyridine-3,3'-diol as a microenvironment-sensitive probe: its binding to cyclodextrins and human serum albumin.
O. K. Abou-Zied (2007)
Interaction of bovine (BSA) and human (HSA) serum albumins with ionic surfactants: spectroscopy and modelling.
E. L. Gelamo (2002)
Probing ligand binding modes of Mycobacterium tuberculosis MurC ligase by molecular modeling, dynamics simulation and docking
C. M. Anuradha (2010)
The Interaction of Bovine Serum Albumin with Surfactants Studied by Light Scattering
A. Valstar (2000)
Spectroscopic Probe Analysis of Protein-Surfactant Interactions: The BSA/SDS System
N. Turro (1995)
Spectroscopic investigation on the interaction of ICT probe 3-acetyl-4-oxo-6,7-dihydro-12H Indolo-[2,3-a] quinolizine with serum albumins.
A. Mallick (2005)
Fluorescence behavior of tryptophan residues of bovine and human serum albumins in ionic surfactant solutions: A comparative study of the two and one tryptophan(s) of bovine and human albumins
Y. Moriyama (1996)
VMD: visual molecular dynamics.
W. Humphrey (1996)
Molecular interaction and energy transfer between human serum albumin and bioactive component Aloe dihydrocoumarin
Xiu-feng Zhang (2008)
Characterization of site I on human serum albumin: concept about the structure of a drug binding site.
K. Yamasaki (1996)
Study of non-covalent interactions between MRI contrast agents and human serum albumin by NMR diffusometry
C. Henoumont (2009)
Interaction of ICT receptor with serum albumins in aqueous buffer
F. Wu (2006)
Molecular Interaction Studies of Trimethoxy Flavone with Human Serum Albumin
Mahesh Gokara (2010)
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
G. Morris (1998)
Characterization of subdomain IIA binding site of human serum albumin in its native, unfolded, and refolded states using small molecular probes.
O. K. Abou-Zied (2008)
Interaction studies of coumaroyltyramine with human serum albumin and its biological importance.
S. Neelam (2010)
Photoinduced intramolecular charge transfer phenomena in 5-(4-dimethylamino-phenyl)-penta-2,4-dienoic acid.
Sankar Jana (2011)
Crystal structure of human serum albumin at 2.5 A resolution.
S. Sugio (1999)
Optimized particle-mesh Ewald/multiple-time step integration for molecular dynamics simulations
P. Batcho (2001)
Structure of serum albumin.
D. Carter (1994)
Interaction of human serum albumin with charge transfer probe ethyl ester of N,N-dimethylamino naphthyl acrylic acid: an extrinsic fluorescence probe for studying protein micro-environment.
R. Singh (2009)
Interaction of BSA with proflavin: A spectroscopic approach
Brotati Chakraborty (2009)
Binding of drugs to human serum albumin:XI. The specificity of three binding sites as studied with albumin immobilized in microparticles.
I. Sjoeholm (1979)
Scalable molecular dynamics with NAMD
J. C. Phillips (2005)
SWISS-MODEL: an automated protein homology-modeling server
T. Schwede (2003)
Determination of the secondary structures of proteins by circular dichroism and optical rotatory dispersion.
Y. Chen (1972)
Exploring hydrophobic subdomain IIA of the protein bovine serum albumin in the native, intermediate, unfolded, and refolded states by a small fluorescence molecular reporter.
Bijan Kumar Paul (2010)
Exploration of human serum albumin binding sites by docking and molecular dynamics flexible ligand-protein interactions.
O. Deeb (2010)
Characterization of the binding of angiotensin II receptor blockers to human serum albumin using docking and molecular dynamics simulation
J. Li (2010)
A Spectrophotometric Investigation of the Interaction of Iodine with Aromatic Hydrocarbons
H. A. Benesi (1949)
Fluorescent Probing of Protein Bovine Serum Albumin Stability and Denaturation Using Polarity Sensitive Spectral Response of a Charge Transfer Probe
S. Ghosh (2010)
Effect of albumin conformation on the binding of ciprofloxacin to human serum albumin: a novel approach directly assigning binding site.
B. Ahmad (2006)
GM1-induced structural changes of bovine serum albumin after chemical and thermal disruption of the secondary structure: a spectroscopic comparison.
A. Gayen (2008)
Modeling and molecular dynamics simulation of the human gonadotropin-releasing hormone receptor in a lipid bilayer.
Eduardo Jardón-Valadez (2008)
Photophysical processes involved within the anisole-thioindoxyl dyad system.
S. Bhattacharya (2006)
Guanidine hydrochloride denaturation of human serum albumin originates by local unfolding of some stable loops in domain III.
B. Ahmad (2005)
Dipolar relaxation within the protein matrix of the green fluorescent protein: a red edge excitation shift study.
S. Haldar (2007)
Fluorescence spectroscopy studies on 5-aminosalicylic acid and zinc 5-aminosalylicylate interaction with human serum albumin.
F. Cui (2004)
Chemically induced unfolding of bovine serum albumin by urea and sodium dodecyl sulfate: a spectral study with the polarity-sensitive charge-transfer fluorescent probe (E)-3-(4-methylaminophenyl)acrylic acid methyl ester.
S. Ghosh (2009)
Atomic structure and chemistry of human serum albumin
X. M. He (1992)
Binding interaction of cationic phenazinium dyes with calf thymus DNA: a comparative study.
Deboleena Sarkar (2008)
Spectrophotometry & Spectrofluorimetry : a practical approach
M. Gore (2000)
Energy transfer photophysics from serum albumins to sequestered 3-hydroxy-2-naphthoic acid, an excited state intramolecular proton-transfer probe.
P. S. Sardar (2008)
Physicochemical and conformational studies on BSA-surfactant interaction in aqueous medium.
T. Chakraborty (2009)
Spectral signatures of intramolecular charge transfer process in beta-enaminones: a combined experimental and theoretical analysis.
R. Misra (2009)
Study of Protein–Probe Interaction and Protective Action of Surfactant Sodium Dodecyl Sulphate in Urea-Denatured HSA using Charge Transfer Fluorescence Probe Methyl Ester of N,N-Dimethylamino Naphthyl Acrylic Acid
S. Mahanta (2008)
Influence of ester and ether linkage in phospholipids on the environment and dynamics of the membrane interface: a wavelength-selective fluorescence approach.
Soumi Mukherjee (2005)
DSC study of the association of ethanol with human serum albumin
A. Michnik (2007)
Reverse micelle induced flipping of binding site and efficiency of albumin protein with an ionic styryl dye.
D. Sahoo (2010)
VEGA – An open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming
A. Pedretti (2004)
Binding of all-trans retinoic acid to human serum albumin: fluorescence, FT-IR and circular dichroism studies.
T. K. Maiti (2006)
Structure of human serum albumin.
D. Carter (1990)
Structural changes accompanying intramolecular electron transfer: focus on twisted intramolecular charge-transfer states and structures.
Z. Grabowski (2003)
Principles of fluorescence spectroscopy
J. R. Lakowicz (1983)
Molecular Recognition in Partially Folded States of a Transporter Protein: Temperature‐dependent Specificity of Bovine Serum Albumin
Debapriya Banerjee (2008)
Interaction of c(60)-fullerene and carboxyfullerene with proteins: docking and binding site alignment.
H. Benyamini (2006)
Binding interaction of a biological photosensitizer with serum albumins: a biophysical study.
Alok Chakrabarty (2007)
Interaction of bovine serum albumin with dipolar molecules: fluorescence and molecular docking studies.
B. Bhattacharya (2009)
Size of a human serum albumin molecule in solution
Kiselev Ma (2001)
Molecular dynamics simulation and binding studies of beta-sitosterol with human serum albumin and its biological relevance.
Babu Sudhamalla (2010)
Intramolecular Charge Transfer as Probing Reaction: Fluorescence Monitoring of Protein-Surfactant Interaction
R. Das (1997)
Re-formation of the helical structure of human serum albumin by the addition of small amounts of sodium dodecyl sulfate after the disruption of the structure by urea. A comparison with bovine serum albumin
Yoshiko Moriyama and (1999)
Contributions of a long side chain to the binding affinity of an anthracene derivative to DNA.
N. K. Modukuru (2005)
All-atom empirical potential for molecular modeling and dynamics studies of proteins.
Alexander D. MacKerell (1998)
Extrinsic fluorescence probe study of human serum albumin using Nile red
D. M. Davis (2004)
Deciphering the perturbation of serum albumins by a ketocyanine dye: a spectroscopic approach.
Deboleena Sarkar (2009)
Interactions between antimalarial indolone-N-oxide derivatives and human serum albumin.
N. Ibrahim (2010)
Fluorimetric studies on the binding of 4-(dimethylamino)cinnamic acid with micelles and bovine serum albumin.
T. S. Singh (2008)

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L. Satish (2017)
Functional group induced excited state intramolecular proton transfer process in 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester: a combined spectroscopic and density functional theory study.
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Hajar Molaee (2019)
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D. Pangeni (2015)
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S. Fatima (2016)
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C. Tang (2013)
Enthalpy-driven interaction between dihydropyrimidine compound and bovine serum albumin: a spectroscopic and computational approach
Manasa Kongot (2018)
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K. Shanmugaraj (2017)
Investigation of the interaction of a polyamine-modified flavonoid with bovine serum albumin (BSA) by spectroscopic methods and molecular simulation.
Zhiyong Tian (2020)
Excited state intramolecular charge transfer suppressed proton transfer process in 4-(diethylamino)-2-hydroxybenzaldehyde.
Sankar Jana (2013)
Excited state intramolecular charge transfer process in 5-(4-dimethylamino-phenyl)-penta-2,4-dienoic acid ethyl ester and effect of acceptor functional groups
Sankar Jana (2013)
In Silico Characterization of the Binding Modes of Surfactants with Bovine Serum Albumin
Osita Sunday Nnyigide (2019)
Study on the interaction of polyamine transport (PAT) and 4-Chloro-naphthalimide-homospermidine conjugate (4-ClNAHSPD) by molecular docking and dynamics.
Zhiyong Tian (2020)
Structure and binding thermodynamics of viologen-phosphorous dendrimers to human serum albumin: A combined computational/experimental investigation
E. Laurini (2016)
4-HNE carbonylation induces local conformational changes on bovine serum albumin and thioredoxin. A molecular dynamics study.
Antistio Alvíz-Amador (2019)
A water-soluble Pd(II) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines
Farivash Darabi (2016)
Rapid and sensitive detection of diazinon in food based on the FRET between rare-earth doped upconversion nanoparticles and graphene oxide.
Y. Rong (2020)
A direct comparison of the interaction of bovine serum albumin and gelatin with sodium deoxycholate in aqueous solutions
Huaying Ren (2015)
Exploring the interaction of the photodynamic therapeutic agent thionine with bovine serum albumin: multispectroscopic and molecular docking studies.
P. Manivel (2015)
Effect of bovine serum albumin on tartrate-modified manganese ferrite nano hollow spheres: spectroscopic and toxicity study.
Indranil Chakraborty (2019)
Proton transfer assisted charge transfer phenomena in photochromic Schiff bases and effect of -NEt2 groups to the anil Schiff bases.
Sankar Jana (2012)
Bovine Serum Albumin Adsorption at a Silica Surface Explored by Simulation and Experiment.
K. Kubiak-Ossowska (2017)
BSA Nanoparticle Loaded Atorvastatin Calcium - A New Facet for an Old Drug
Sripriyalakshmi. S (2014)
Donor–Pyrene–Acceptor Distance-Dependent Intramolecular Charge-Transfer Process: A State-Specific Solvation Preferred to the Linear-Response Approach
Dipanwita Jana (2020)
Study of microheterogeneous environment of protein Human Serum Albumin by an extrinsic fluorescent reporter: a spectroscopic study in combination with Molecular Docking and Molecular Dynamics Simulation.
Sankar Jana (2012)
Tyrosine fluorescence probing of the surfactant-induced conformational changes of albumin.
N. G. Zhdanova (2015)
Interactions of bovine serum albumin with cationic imidazolium and quaternary ammonium gemini surfactants: effects of surfactant architecture.
T. Zhou (2013)
Synthesis, photophysics and the binding studies of rhenium(I) diimine surfactant complexes with serum albumins: A spectroscopic and docking study approach
G. Balakrishnan (2019)
Modulated photophysics of a cationic DNA-staining dye inside protein bovine serum albumin: study of binding interaction and structural changes of protein.
A. Samanta (2014)
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