title: Interaction of Lysozyme with Rhodamine B: A combined analysis of spectroscopic & molecular docking.
abstract: The interaction of Rhodamine B (RB) with Lysozyme (Lys) was investigated by different optical spectroscopic techniques such as absorption, fluorescence, and circular-dichroism (CD), along with molecular docking studies. The fluorescence results (including steady-state and time-resolved mode) revealed that the addition of RB effectively causes strong quenching of intrinsic fluorescence in Lysozyme and mostly, by the static quenching mechanism. Different binding and thermodynamic parameters were calculated at different temperatures and the binding constant value was found to be 2963.54Lmol(-1) at 25°C. The average distance (r0) was found to be 3.31nm according to Förster's theory of non-radiative energy transfer between Lysozyme and RB. The conformational change in Lysozyme during interaction with RB was confirmed from absorbance, synchronous fluorescence, and circular dichroism measurements. Finally, molecular docking studies were done to confirm that the dye binds with Lysozyme.
authors.affiliation: Department of Chemistry, National Institute of Technology (NIT), Rourkela, Odisha, India.
authors.forename: Sabera
authors.initials: S
authors.lastname: Millan
authors.affiliation: Department of Chemistry, National Institute of Technology (NIT), Rourkela, Odisha, India.
authors.forename: Lakkoji
authors.initials: L
authors.lastname: Satish
authors.affiliation: Department of Chemistry, National Institute of Technology (NIT), Rourkela, Odisha, India.
authors.forename: Sandeep
authors.initials: S
authors.lastname: Kesh
authors.affiliation: Colloids and Materials Chemistry Department, Institute of Minerals and Materials Technology, Bhubaneswar, India.
authors.forename: Yatendra S
authors.initials: YS
authors.lastname: Chaudhary
authors.affiliation: Department of Chemistry, National Institute of Technology (NIT), Rourkela, Odisha, India. Electronic address: sahooh@nitrkl.ac.in.
authors.forename: Harekrushna
authors.initials: H
authors.lastname: Sahoo
mesh_terms: D002942:Circular Dichroism; D062105:Molecular Docking Simulation; D009113:Muramidase / Q000737:chemistry* / Q000378:metabolism*; D011485:Protein Binding; D011487:Protein Conformation; D012235:Rhodamines / Q000378:metabolism*; D013050:Spectrometry, Fluorescence; D013816:Thermodynamics
chemical_list: D012235:Rhodamines; D009113:Muramidase; C029773:rhodamine B
keywords: Circular dichroism; Docking studies; Fluorescence resonance energy transfer; Fluorescence spectroscopy; Lysozyme; Rhodamine B