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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
Evaluation of the genetic toxicity of the organophosphate insecticide chlorpyrifos.
TL;DR: The genetic toxicity of chlorpyrifos was examined by employing several end points such as gene mutations in bacteria and mammalian cell cultures, cytogenetic abnormalities in mammalian cells both in vitro and in vivo and induction of DNA damage and repair in rat hepatocytes in vitro.
Journal ArticleDOI
Differential Epitope Mapping by STD NMR Spectroscopy To Reveal the Nature of Protein–Ligand Contacts
TL;DR: It is demonstrated that DEEP‐STD NMR can be used to readily obtain pharmacophore information on the protein and if the 3D structure of the protein is known, this information also helps in orienting the ligand in the binding pocket.
Journal ArticleDOI
Elucidation of intermolecular interaction of bovine serum albumin with Fenhexamid: A biophysical prospect.
TL;DR: The experimental results illustrated that the fluorescence quenching mechanism of BSA induced by fenhexamid was a static quenched and the reaction of fen hexamid with BSA could proceed spontaneously, the van der Waals force and hydrogen bonding interaction conducted the main effect, and the binding process was enthalpy-driven.
Journal ArticleDOI
Experimental and computational studies on the binding of diazinon to human serum albumin.
Fataneh Jafari,Setareh Samadi,Amin Nowroozi,Komail Sadrjavadi,Sajad Moradi,Mohammad Reza Ashrafi-Kooshk,Mohsen Shahlaei +6 more
TL;DR: The obtained results from spectroscopic and electrochemistry experiments along with the computational studies suggest that DZN binds to residues located in subdomains IIA of HSA with binding constant about 1410.9 M−1 at 300 K.
Journal ArticleDOI
Insights into the binding of thiosemicarbazone derivatives with human serum albumin: spectroscopy and molecular modelling studies
Subramani Karthikeyan,Ganesan Bharanidharan,Manish Kesherwani,Karthik Ananth Mani,Narasimhan Srinivasan,Devadasan Velmurugan,Prakasarao Aruna,Singaravelu Ganesan +7 more
TL;DR: The binding of thiosemicarbazone derivative to human serum albumin (HSA) has been investigated by studying its quenching mechanism, binding kinetics and the molecular distance between donor and acceptor was estimated according to Forster’s theory of non-radiative energy transfer using fluorescence spectroscopy.