Screening of Streptococcus mutans Sortase A Via Myricetin-Like Inhibitors: In Vitro Evaluation and Molecular Docking- Based Virtual
عنوان مقاله: Screening of Streptococcus mutans Sortase A Via Myricetin-Like Inhibitors: In Vitro Evaluation and Molecular Docking-
Based Virtual
شناسه ملی مقاله: JR_MEBIO-10-1_007
منتشر شده در در سال 1401
شناسه ملی مقاله: JR_MEBIO-10-1_007
منتشر شده در در سال 1401
مشخصات نویسندگان مقاله:
Mona Maghsoodlou - Department of Microbiology, Gorgan Branch, Islamic Azad University, Gorgan, Iran
Leila Fozouni - Department of Microbiology, Gorgan Branch, Islamic Azad University, Gorgan, Iran
Ali Salehnia Sammak - Department of Microbiology, Rasht Branch, Islamic Azad University, Rasht, Iran
خلاصه مقاله:
Mona Maghsoodlou - Department of Microbiology, Gorgan Branch, Islamic Azad University, Gorgan, Iran
Leila Fozouni - Department of Microbiology, Gorgan Branch, Islamic Azad University, Gorgan, Iran
Ali Salehnia Sammak - Department of Microbiology, Rasht Branch, Islamic Azad University, Rasht, Iran
Background: Dental caries is one of the most common causes threatening human health globally. Sortase
A (Srt A) as a transpeptidase, mediates the attachment of the Streptococcus mutans cell wall to dental
surfaces by biofilm formation. Due to the development of multidrug-resistance bacteria, attempting to
discover growth inhibitors is logical and promising.
Objectives: The current study aimed at the experimental and docking-based virtual screening of myricetinlike
inhibitors for the inhibition of Srt A enzyme in S. mutans isolates.
Methods: Sixty-three S. mutans were isolated from pupils based on cultural, morphological, and
biochemical characteristics (N = ۱۵۰). After identifying the srtA gene using the polymerase chain reaction
(PCR) with specific primers, a broth microdilution test was conducted according to CLSI-۲۰۲۰ criteria
to determine the minimum inhibitory concentration (MIC) of myricetin. The in silico exploration of Srt A
inhibitors was performed using AutoDock ۴.۲.۶.
Results: The frequency of S. mutans isolates containing the srtA gene was ۸۷.۳% of which, fifty isolates
(۷۹.۴%) were categorized as susceptible to myricetin (MIC ≤ ۱۶ μg/mL). Of ۲۰ ligands having a high degree
of similarity with myricetin, the best docking results were related to ligand ۲.
Conclusion: It was concluded that myricetin has an inhibitory effect on oral bacteria in vitro, and ligand
۲ had the most negative binding energy (-۴.۶۶ kcal/mol) and favorably interacts with the key amino acid
residues at the active site of Srt A. Accordingly, this ligand can be utilized as a lead compound for further
studies to discover novel inhibitors targeting Srt A in S. mutans.
کلمات کلیدی: Streptococcus mutans, Molecular docking, Myricetin, Sortase A
صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/1700908/