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Analyzing organophosphate pesticide-serum albumin binding interaction: a combined STD NMR and molecular docking study
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TLDR
In Vitro analysis of the interaction of organophosphate pesticides (OP) with bovine serum albumin (BSA) is crucial to understand their potential effects at the molecular level and Saturation Transfer Difference NMR experiments in conjunction with molecular docking studies revealed a high binding affinity of OP-BSA complexes through non-covalent interaction.Abstract:
In Vitro analysis of the interaction of organophosphate pesticides (OP) with bovine serum albumin (BSA) is crucial to understand their potential effects at the molecular level. In this context, we ...read more
Citations
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Enzymes, Reacting with Organophosphorus Compounds as Detoxifiers: Diversity and Functions.
Ilya Lyagin,Elena Efremenko +1 more
TL;DR: In this article, a review of OPC-based enzymes is presented, including their structural differences and identity, mechanisms, and specificity of catalytic action, including results of computational modeling.
Journal ArticleDOI
Structural aspects of formetanate hydrochloride binding with human serum albumin using spectroscopic and molecular modeling techniques.
TL;DR: The experimental and computational results have provided the binding affinity, binding mode, conformational flexibility, and thermodynamic profile of Formetanate Hydrochloride (FMT)-HSA complex as mentioned in this paper .
Journal ArticleDOI
Endocrine-disrupting pollutants properties affecting their bioactivity, remediation, and detection
TL;DR: In this paper, the role of intermolecular interactions, specifically halogen and chalcogen bonds, in EDC recognition processes is discussed, with an overview of the latest advances in the study of disruption mechanisms.
Journal ArticleDOI
Molecular Mechanisms of Acute Organophosphate Nephrotoxicity
TL;DR: A modern view on the molecular pathophysiological mechanisms of acute nephrotoxicity of organophosphate compounds is presented.
Journal ArticleDOI
Esterase Activity of Serum Albumin Studied by 1H NMR Spectroscopy and Molecular Modelling.
Daria A. Belinskaia,Polina A Voronina,Mikhail A. Vovk,V. I. Shmurak,A. A. Batalova,Richard O. Jenkins,Nikolay V. Goncharov +6 more
TL;DR: In this article, the authors used proton nuclear magnetic resonance (1H NMR) to study the true esterase activity of albumin, using the example of bovine serum albumin (BSA) and p-nitrophenyl acetate (NPA).
References
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Journal ArticleDOI
Tyrosine-Generated Nanostructures Initiate Amyloid Cross-Seeding in Proteins Leading to a Lethal Aggregation Trap
TL;DR: It is shown that aromatic amino acid tyrosine readily forms amyloid-like entities that can effectively drive aggregation of different globular proteins and aromatic residues that resulted in the formation of cross-β rich regular fibrils as well as spheroidal oligomers.
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Binding of the organophosphates parathion and paraoxon to bovine and human serum albumin.
J. Mourik,L. P. A. de Jong +1 more
TL;DR: The great difference of affinity of the serum albumins to parathion and paraoxon is discussed with respect to the fate ofParathion in the body.
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Solvent-dependent binding interactions of the organophosphate pesticide, chlorpyrifos (CPF), and its metabolite, 3,5,6-trichloro-2-pyridinol (TCPy), with Bovine Serum Albumin (BSA): A comparative fluorescence quenching analysis.
TL;DR: The solvent dependent differential binding interaction of the two molecules finally indicates possibility of diverse bio-distribution of the pesticides within human body.
Journal ArticleDOI
Ligand screening by saturation-transfer difference (STD) NMR spectroscopy.
TL;DR: The goal of this review article is to provide the basic details of NMR based ligand-screening methods, with particular focus on the saturation transfer difference (STD) experiment.