Screening of Streptococcus mutans Sortase A Via Myricetin-Like Inhibitors: In Vitro Evaluation and Molecular Docking-Based Virtual (original) (raw)

2022, Avicenna journal of medical biochemistry

Background Tooth infection such as dental caries has continuously become the main public health concern globally. Tooth decay contains biological, environmental, and lifestylerelated risk factors. Given biological agents, oral microflora specified in both the root and crown of tooth possess an important situation in dental health (1,2). The main pathogen of the root and coronal caries are viridans-group Streptococci, especially Streptococcus mutans. S. mutans uses the sortase A (Srt A) enzyme for anchoring several surface proteins to the cell walls and forms a biofilm on the tooth surface (3,4). The biofilm production, the so-called dental plaque, is one of the significant virulence features of S. mutans that adheres bacteria to the surface of the teeth. The tooth continuously displays enamel decalcification, ultimately resulting in its decay because of the biofilm generation and the acid-manufacturing capacity of carbohydrate fermentation by bacteria. Several studies have reported that the presence of Streptococcus spp. reduces in the cell wall after the removal of Srt A; therefore, this enzyme possesses a key function in the interactions between Streptococcus spp. and their host and is concerned as a promising target for the treatment of tooth caries (5-7). To date, some Srt A inhibitors have been discovered that are mostly derived from flavonoid compounds, including myricetin (8). However, only a few small molecules are available for inhibiting the transpeptidase by myricetin, which is a naturally benzo-α-pyrone flavonoid derivative. Antibiotics utilized in dentistry were found to raise bacterial resistance, thus naturally occurring ingredients can make a favorable contribution to treating dental caries. Moreover, the computer-based drug design has appeared as a popular procedure for conducting high-throughput virtual screening of potential medicinal compounds,