Molecular dynamics simulation and binding studies of β-sitosterol with human serum albumin and its biological relevance

Journal of Physical Chemistry B

Volumn 114, Issue 27, 2010, Pages 9054-9062

  Sudhamalla, Babu ^a,b   Gokara, Mahesh ^a   Ahalawat, Navjeet ^a,b   Amooru, Damu G ^a   Subramanyam, Rajagopal ^a  

^a UNIVERSITY OF HYDERABAD   (India)

^b YOGI VEMANA UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BODY FLUIDS; COMPLEXATION; DICHROISM; DOCKING; FLUORESCENCE; HYDROGEN; HYDROGEN BONDS; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODELING; PH EFFECTS; PROTEINS;

AERIAL ROOTS; AQUEOUS SOLUTIONS; BINDING CONSTANT; BINDING STUDIES; CIRCULAR DICHROISM; COMPLEX SYSTEMS; CONFORMATIONAL CHANGE; HUMAN SERUM ALBUMINS; HYDROGEN BOND INTERACTION; HYDROPHOBIC CAVITIES; HYDROPHOBIC INTERACTIONS; INTRINSIC FLUORESCENCE; MOLECULAR DOCKING; MOLECULAR DYNAMICS SIMULATIONS; NATURALLY OCCURRING; PHYSIOLOGICAL PH; PROTEIN SECONDARY STRUCTURE; STATIC QUENCHING; SUBDOMAIN;

BINDING ENERGY;

GAMMA-SITOSTEROL; PROTEIN BINDING; SERUM ALBUMIN; SITOSTEROL DERIVATIVE;

BINDING SITE; CHEMISTRY; CIRCULAR DICHROISM; ELECTROSPRAY MASS SPECTROMETRY; FICUS; HUMAN; METABOLISM; MOLECULAR DYNAMICS; PH; PLANT ROOT; PROTEIN CONFORMATION; SPECTROFLUOROMETRY; THERMODYNAMICS; TIME;

BINDING SITES; CIRCULAR DICHROISM; FICUS; HUMANS; HYDROGEN-ION CONCENTRATION; MOLECULAR DYNAMICS SIMULATION; PLANT ROOTS; PROTEIN BINDING; PROTEIN CONFORMATION; SERUM ALBUMIN; SITOSTEROLS; SPECTROMETRY, FLUORESCENCE; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; THERMODYNAMICS; TIME FACTORS;

EID: 77954507346     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp102730p     Document Type: Article

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