Journal ArticleDOI
Analyzing organophosphate pesticide-serum albumin binding interaction: a combined STD NMR and molecular docking study
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
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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
Halogens in Protein-Ligand Binding Mechanism: A Structural Perspective.
TL;DR: An analysis describing the interacting environment of halogen atoms in protein-ligand context is presented and the moderate occurrence of Halogen bonding is highlighted and the other roles of halogens in protein -ligand complexes are presented, completing the medicinal chemistry guide to rational halogen interactions.
Journal ArticleDOI
The effects of diazinon on pancreatic damage and ameliorating role of vitamin E and vitamin C
Osman Gökalp,Bora Buyukvanli,Ekrem Çiçek,Mehmet Kaya Ozer,Ahmet Koyu,Irfan Altuntas,Halis Köylü +6 more
TL;DR: The results suggest that DI treatment causes pancreas damage via increasing oxidative stress in rats, and a combination of vitamins E and C can reduce this lipoperoxidative effect.
Journal ArticleDOI
Recent developments and applications of saturation transfer difference nuclear magnetic resonance (STD NMR) spectroscopy
TL;DR: It is illustrated that STD NMR is not simply a method for drug screening and discovery, but has qualitative and quantitative applications that can answer fundamental and applied biological and biomedical questions involving molecular interactions between ligands and proteins.
Journal ArticleDOI
Do Halogen–Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand–Protein Binding?
TL;DR: It is shown that halogens acting as hydrogen bond acceptors potentially make a more favorable contribution to ligand binding than halogen bonds based on quantum mechanical calculations and bioinformatics analysis of ligand–protein crystal structures shows the presence of significant numbers of such interactions.
Journal ArticleDOI
A novel immunochromatographic electrochemical biosensor for highly sensitive and selective detection of trichloropyridinol, a biomarker of exposure to chlorpyrifos.
Limin Wang,Donglai Lu,Jun Wang,Dan Du,Zhexiang Zou,Hua Wang,Jordan N. Smith,Charles Timchalk,Fengquan Liu,Yuehe Lin +9 more
TL;DR: The IEB opens up new pathways for designing a simple, rapid, clinically accurate, and quantitative tool for TCP detection, as well as holds a great promise for in-field screening of metabolite biomarkers, e.g., TCP, for humans exposed to organophosphorus insecticides.