Revealing the mechanistic interactions of profenofos and captan pesticides with serum protein via biophysical and computational investigations
Issued Date
2024-12-01
Resource Type
eISSN
20452322
Scopus ID
2-s2.0-85182654684
Pubmed ID
38245578
Journal Title
Scientific Reports
Volume
14
Issue
1
Rights Holder(s)
SCOPUS
Bibliographic Citation
Scientific Reports Vol.14 No.1 (2024)
Suggested Citation
Phopin K., Ruankham W., Prachayasittikul S., Prachayasittikul V., Tantimongcolwat T. Revealing the mechanistic interactions of profenofos and captan pesticides with serum protein via biophysical and computational investigations. Scientific Reports Vol.14 No.1 (2024). doi:10.1038/s41598-024-52169-2 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/95648
Title
Revealing the mechanistic interactions of profenofos and captan pesticides with serum protein via biophysical and computational investigations
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Abstract
Profenofos (PF) and captan (CT) are among the most utilized organophosphorus insecticides and phthalimide fungicides, respectively. To elucidate the physicochemical and influential toxicokinetic factors, the mechanistic interactions of serum albumin and either PF or CT were carried out in the current study using a series of spectroscopy and computational analyses. Both PF and CT could bind to bovine serum albumin (BSA), a representative serum protein, with moderate binding constants in a range of 103–104 M−1. The bindings of PF and CT did not induce noticeable BSA’s structural changes. Both pesticides bound preferentially to the site I pocket of BSA, where the hydrophobic interaction was the main binding mode of PF, and the electrostatic interaction drove the binding of CT. As a result, PF and CT may not only induce direct toxicity by themselves, but also compete with therapeutic drugs and essential substances to sit in the Sudlow site I of serum albumin, which may interfere with the pharmacokinetics and equilibrium of drugs and other substances causing consequent adverse effects.