Design and In-silico study of bioimaging fluorescence Graphene quantum dot-Bovine serum albumin complex synthesized by diimide-activated amidation. (August 2021)

• Record Type: Journal Article
• Authors: Patel, Vimal; Shah, Jigar; Gupta, Ajay Kumar
• Is Part Of: Computational biology and chemistry. Volume 93(2021)
• Publication Date: 2021-08
• Subjects: GQD graphene quantum dot -- ROS reactive oxygen specie -- CND carbon nanodot -- CNP carbon nanoparticles -- CQD carbon quantum dot -- PCD polymer carbon dot -- Eg energy gap -- BSA bovine serum albumin -- EDC N-ethyl-N'-(3-Dimethylaminopropyl)-3-ethylcabodiimide hydrochloride -- NHS N-hydroxy succinimide -- EtBr ethidium bromide -- MWCO molecular weight cut-off -- CA citric acid -- RPM revolution per minute -- pH potential of hydrogen -- kDa kilo dalton -- AFM atomic force microscopy -- TEM transmission electron microscopy -- FTIR Fourier transform infrared spectroscopy -- DLS dynamic light scattering -- PI poly-dispersibility index -- UV ultraviolet -- PDB protein data bank -- SDF spatial data file -- RMSD relative mean standard deviation; Fluorescence -- Graphene quantum dot -- Bovine serum albumin -- Carbodiimide-activated amidation -- MD simulation; Chemistry -- Data processing -- Periodicals; Biology -- Data processing -- Periodicals; Biochemistry -- Data processing; Biology -- Data processing; Molecular biology -- Data processing; Periodicals; Electronic journals; 542.85
• DOI: 10.1016/j.compbiolchem.2021.107543
• Languages: English
• ISSNs: 1476-9271

Abstract

Graphical abstract: GQD tethered BSA complex by carbodiimide amidation and characterization. Highlights: 2D-GQD prepared from pyrolysis of citric acid through bottom-up technique exhibit excitation-dependent fluorescence emission. Narrow size distribution of about 20 nm has been confirmed by AFM and TEM. EDC/NHS diimide activated amidation has created a covalent amide bridge between the BSA and GQD. MD simulation reveals higher negative energy comprises during the interaction make rapid and stable protein-ligand complex. Spectro-fluorescence and virtual screening analysis reveal that GQD-BSA interaction has avoided fluorescence quenching. Abstract: Graphene quantum dot possesses advantageous characteristics like tunable fluorescence, nanometer size, low cytotoxicity, high biocompatibility enabling them as an ideal material for fluorescence bio-imaging. It exhibits a unique characteristic of DNA cleavage activity enhancer, gene/drug carrier, and anticancer targeting applications. In this article, we discussed the preparation of graphene quantum dot through the bottom-up method. Carbodiimide-activated amidation reactions were used for the functionalization of graphene quantum dot with Bovine Serum Albumin. Fluorescence spectroscopy data showed that the graphene quantum dot has size-dependent fluorescence emission. TEM and AFM studies showed that the size of graphene quantum dot was around 20 nm with narrow size distribution. Carbodiimide-activated amidation conjugation was successful in binding the protein onto graphene quantum dot and these conjugates were characterized by DLS, FTIR, fluorescence spectroscopy, and agarose gel electrophoresis. We also studied the structural-based in-silico molecular dynamic simulation by AutoDock, PyRx, and Discovery Studio Visualizer. Based on the virtual screening analysis and higher negative energy incorporation, it is observed that graphene quantum dot conjugated with bovine serum albumin quickly and formed is highly stable complex, which makes them a potential candidate for future applications in the field of bio-imaging, bio-sensing, gene/drug delivery, and tumor theragnostic.