Data · collection · 2016
Acetaminophen interacts with human hemoglobin: optical, physical and molecular modeling studies
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Acetaminophen, a widely used analgesic and antipyretic drug has ample affinity to bind globular proteins.
Description
Here, we have illustrated a substantive study pertaining to the interaction of acetaminophen with human hemoglobin (HHb). Different spectroscopic (absorption, fluorescence, and circular dichroism (CD) spectroscopy), calorimetric, and molecular docking techniques have been employed in this study.
Acetaminophen-induced graded alterations in absorbance and fluorescence of HHb confirm their interaction. Analysis of fluorescence quenching at different temperature and data obtained from isothermal titration calorimetry indicate that the interaction is static and the HHb has one binding site for the drug. The negative values of Gibbs energy change (Δ G 0 ) and enthalpy changes (Δ H 0 ) and positive value of entropy change (Δ S 0 ) strongly suggest that it is entropy-driven spontaneous and exothermic reaction.
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The reaction involves hydrophobic pocket of the protein which is further stabilized by hydrogen bonding as evidenced from ANS and sucrose binding studies. These findings were also supported by molecular docking simulation study using AutoDock 4.2. The interaction influences structural integrity as well as functional properties of HHb as evidenced by CD spectroscopy, increased rate of co-oxidation and decreased esterase activity of HHb.
So, from these findings, we may conclude that acetaminophen interacts with HHb through hydrophobic and hydrogen bonding, and the interaction perturbs the structural and functional properties of HHb.
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Where it is published
- Repository landing page figshare.com/collections/Acetaminophen_interacts_with_human_hemoglobin_opti… ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.c.3257953 ↗
DOI / persistent id · from DataCite
Documentation and papers
- CC-BY creativecommons.org/licenses/by/3.0/us ↗
license · from DataCite
- IsSupplementTo 10.1080/07391102.2016.1180262 doi.org/10.1080/07391102.2016.1180262 ↗
publication · from DataCite
Catalogue records · 2
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.c.3257953 ↗
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- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.c.3257953 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Chemical sciences · Physical sciences
- From keywords
- Cancer · Medicine & Health
- Inferred from text
- Medicinal and biomolecular chemistry 71% · Simulation 75%
Related
Provenance · 1 source records, 13 field assertions
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|---|---|---|---|
| DataCite | 10.6084/m9.figshare.c.3257953 | 15 d ago | JSON v1 |
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