Related ArticlesAnalyzing organophosphate pesticide-serum albumin binding interaction: A combined STD NMR and molecular docking study.
J Biomol Struct Dyn. 2020 Mar 19;:1-24
Authors: Dahiya V, Anand BG, Kar K, Pal S
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 have employed Saturation Transfer Difference (STD) NMR experiments in conjunction with molecular docking studies to unravel the binding interaction of the OP chlorpyrifos (CPF), diazinon (DZN) and parathion (PA) in solution. The relative STD (%) suggested the detailed epitope mapping of these OP with BSA while the concentration-dependent STD NMR studies were performed to obtain the complex dissociation constant (KD) of the OP-BSA complexes; KD=1.81 × 10-4 M, 1.30 × 10-3 M and 1.11 × 10-3 M for CPF, DZN and PA were extracted respectively. Similar binding modes were identified for all the three OP using STD site-marker experiment. ITC experiments were performed as a complementary method that revealed a high binding affinity of OP-BSA complexes through non-covalent interaction. Molecular docking confirmed the possible interacting chemical groups of OP-BSA complexes. These significant results furnish valuable information about the toxicity risk of OP to proteins.
PMID: 32189579 [PubMed - as supplied by publisher]
[NMR paper] The influence of fatty acids on metoprolol - human serum albumin interaction in low affinity binding sites: a multifactorial NMR approach.
The influence of fatty acids on metoprolol - human serum albumin interaction in low affinity binding sites: a multifactorial NMR approach.
Related Articles The influence of fatty acids on metoprolol - human serum albumin interaction in low affinity binding sites: a multifactorial NMR approach.
Protein Pept Lett. 2018 Jan 15;:
Authors: Szkudlarek A, Mogielnicki M, Pentak D, Ploch A, Maciazek-Jurczyk M
Abstract
The aim of the study was to evaluate the mechanism of interaction between metoprolol (MTP) and human serum albumin (HSA)...
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01-18-2018 12:41 PM
[NMR paper] Interaction of lafutidine in binding to human serum albumin in gastric ulcer therapy: STD-NMR, WaterLOGSY-NMR, NMR relaxation times, Tr-NOESY, molecule docking, and spectroscopic studies.
Interaction of lafutidine in binding to human serum albumin in gastric ulcer therapy: STD-NMR, WaterLOGSY-NMR, NMR relaxation times, Tr-NOESY, molecule docking, and spectroscopic studies.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Interaction of lafutidine in binding to human serum albumin in gastric ulcer therapy: STD-NMR, WaterLOGSY-NMR, NMR relaxation times, Tr-NOESY, molecule docking, and spectroscopic studies.
Arch Biochem Biophys. 2016 Sep 15;606:81-9
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05-24-2017 07:40 PM
[NMR paper] Domain-specific interactions between MLN8237 and human serum albumin estimated by STD and WaterLOGSY NMR, ITC, spectroscopic, and docking techniques.
Domain-specific interactions between MLN8237 and human serum albumin estimated by STD and WaterLOGSY NMR, ITC, spectroscopic, and docking techniques.
Related Articles Domain-specific interactions between MLN8237 and human serum albumin estimated by STD and WaterLOGSY NMR, ITC, spectroscopic, and docking techniques.
Sci Rep. 2017 Mar 30;7:45514
Authors: Yang H, Liu J, Huang Y, Gao R, Tang B, Li S, He J, Li H
Abstract
Alisertib (MLN8237) is an orally administered inhibitor of Aurora A kinase. This small-molecule inhibitor is under...
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03-31-2017 12:43 PM
[NMR paper] Binding mechanism of the tyrosine-kinase inhibitor nilotinib to human serum albumin determined by 1H STD NMR, 19F NMR, and molecular modeling.
Binding mechanism of the tyrosine-kinase inhibitor nilotinib to human serum albumin determined by 1H STD NMR, 19F NMR, and molecular modeling.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Binding mechanism of the tyrosine-kinase inhibitor nilotinib to human serum albumin determined by 1H STD NMR, 19F NMR, and molecular modeling.
J Pharm Biomed Anal. 2016 May 30;124:1-9
Authors: Yan J, Wu D, Sun P, Ma X, Wang L, Li S, Xu K, Li H
Abstract
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01-12-2017 03:48 AM
[NMR paper] Comparative analysis the binding affinity of mycophenolic sodium and meprednisone with human serum albumin: insight by NMR relaxation data and docking simulation.
Comparative analysis the binding affinity of mycophenolic sodium and meprednisone with human serum albumin: insight by NMR relaxation data and docking simulation.
Related Articles Comparative analysis the binding affinity of mycophenolic sodium and meprednisone with human serum albumin: insight by NMR relaxation data and docking simulation.
Chem Biol Interact. 2016 Feb 15;
Authors: Ma X, He J, Yan J, Wang Q, Li H
Abstract
Mycophenolic sodium is an immunosuppressive agent that is always combined administration with corticosteroid...
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02-20-2016 11:05 PM
[NMR paper] Study of interaction of human serum albumin with curcumin by NMR and docking.
Study of interaction of human serum albumin with curcumin by NMR and docking.
Study of interaction of human serum albumin with curcumin by NMR and docking.
J Mol Model. 2014 Aug;20(8):2365
Authors: Singh DV, Bharti SK, Agarwal S, Roy R, Misra K
Abstract
Curcumin has been reported to be therapeutically active but has poor bioavailability, half life, and high rate of metabolic detoxifcation. Most of the hydrophobic and acidic drugs get transported through human serum albumin (HSA). Binding of drugs to serum protein increases their...
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07-18-2014 01:02 PM
[NMR paper] Mn(II) binding to human serum albumin: a ¹H-NMR relaxometric study.
Mn(II) binding to human serum albumin: a ¹H-NMR relaxometric study.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Mn(II) binding to human serum albumin: a ¹H-NMR relaxometric study.
J Inorg Biochem. 2012 Dec;117:198-203
Authors: Fanali G, Cao Y, Ascenzi P, Fasano M
Abstract
Human serum albumin (HSA) displays several metal binding sites, participating to essential and toxic metal ions disposal and transport. The major Zn(II) binding site,...
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09-27-2013 03:28 AM
DEER in Biological Multispin-Systems: A Case Study on the Fatty Acid Binding to Human Serum Albumin
DEER in Biological Multispin-Systems: A Case Study on the Fatty Acid Binding to Human Serum Albumin
Publication year: 2011
Source: Journal of Magnetic Resonance, In Press, Accepted Manuscript, Available online 10 March 2011</br>
Matthias J.N., Junk , Hans W., Spiess , Dariush, Hinderberger</br>
In this study, self-assembled systems of human serum albumin (HSA) and spin-labeled fatty acids are characterized by double electron–electron resonance (DEER). HSA, being the most important transport protein of the human blood, is capable to host up to seven paramagnetic fatty acid...