Abstract

The interaction of patulin with human serum albumin (HSA) was studied in vitro under normal physiological conditions. The study was performed using fluorescence, ultraviolet-visible spectroscopy (UV-Vis), circular dichroism (CD), atomic force microscopy (AFM), and molecular modeling techniques. The quenching mechanism was investigated using the association constants, the number of binding sites, and basic thermodynamic parameters. A dynamic quenching mechanism occurred between HSA and patulin, and the binding constants (K) were 2.60 × 104, 4.59 × 104, and 7.01 × 104 M−1 at 288, 300, and 310 K, respectively. Based on fluorescence resonance energy transfer, the distance between the HSA and patulin was determined to be 2.847 nm. The ΔG 0, ΔH 0, and ΔS 0 values across various temperatures indicated that hydrophobic interaction was the predominant binding force. The UV-Vis and CD results confirmed that the secondary structure of HSA was altered in the presence of patulin. The AFM results revealed that the individual HSA molecule dimensions were larger after interaction with patulin. In addition, molecular modeling showed that the patulin-HSA complex was stabilized by hydrophobic and hydrogen bond forces. The study results suggested that a weak intermolecular interaction occurred between patulin and HSA. Overall, the results are potentially useful for elucidating the toxigenicity of patulin when it is combined with the biomolecular function effect, transmembrane transport, toxicological, testing and other experiments.

Highlights

  • Patulin is a toxic secondary metabolite produced by a variety of food spoilage fungi, by Penicillium, Aspergillus genera, and Byssochlamys species [1]

  • The band intensity increased at all wavelengths and no significant peak shifts were observed; the α-helix content of human serum albumin (HSA) decreased to 50.7%, accompanied by an increase in the

  • The interactions of patulin with HSA were investigated under simulated physiological conditions using different spectroscopic methods: atomic force microscopy (AFM) and molecular modeling

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Summary

Introduction

Patulin is a toxic secondary metabolite produced by a variety of food spoilage fungi, by Penicillium, Aspergillus genera, and Byssochlamys species [1]. Different foods, including fruits and grains, especially apple and its juice, can be affected by these fungi and become contaminated with patulin [2]. Patulin has a strong affinity for sulfhydryl groups, inhibiting the activity of many enzymes [6, 7]. It has strong antibiotic properties [8] and was used to treat the common cold in the 1940s. Nausea, vomiting, gastrointestinal disturbance, and kidney damage have been reported in humans [12, 13]. To establish guidelines for human exposure to patulin, the JECFA lowered the provisional maximum tolerable daily intake (PMTDI) of patulin from 1 to 0.4 mg/kg body mass/day based on a noobserved-effect level (NOEL) of 43 mg/kg body mass/day and the use of a 100-fold safety factor [6]

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