Streptococcus mutans sortase A inhibitory metabolites from the flowers of Sophora japonica

Yang, Woo‐Young; Won, Tae Hyung; Ahn, Chan‐Hong; Lee, So-Hyoung; Yang, Hyeong‐Cheol; Shin, Jongheon; Oh, Ki‐Bong

doi:10.1016/j.bmcl.2015.02.051

Cited by 38 publications

(38 citation statements)

References 15 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To estimate the stability of SrtA-ligand complexes, two reported inhibitors, curcumin 14 and kaempferol-3-rutinoside, 20 were selected to compare with the nine compounds using the 35 ns MD simulations. As shown in Supplementary Figure S3, curcumin (red) attained high stability after 3 ns, whereas another inhibitor (black) exhibited large fluctuations during the MD trajectories.…”

Section: Resultsmentioning

confidence: 99%

“…The reason for this difference seemed to be that the inhibitory effect of kaempferol-3-rutinoside (IC 50 =60.7μmol·L −1 ±1.2 μmol·L −1 (ref. 20)) was reduced compared with curcumin (IC 50 =10.2μmol·L −1 ±0.7 μmol·L −1 (ref. 14)).…”

Section: Discussionmentioning

confidence: 99%

“…Branched chains of flavone can also decrease SrtA activity, such as kaempferol-3-rutinoside. 20 In the TONGTIAN library, a flavonoid naringin (ZINC08681509) was excluded. However, all flavonoids in the TONGTIAN library were excluded after docking (Supplementary Table S2).…”

Section: Discussionmentioning

confidence: 99%

“…Eleven inhibitors from the literature with IC 50 values <100 μmol·L −1 were considered as the positive datasets. 1, 14, 19, 20 Inhibitor structures that were not identified in the ZINC database were generated by ChemDraw, and energy was minimized by Chimera. In total, 210 decoys were identified as negative datasets by DecoyFinder according to the following parameters.…”

Section: Methodsmentioning

confidence: 99%

“…14 Moreover, four compounds retain high inhibitory activity for SrtA. 20 However, few small molecules (<12, including their isomers) are available that suppress the transpeptidases. Antibiotics used in dentistry appear to increase bacterial resistance, and natural products can make a favourable contribution in this field.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

In silico identification of potential inhibitors targeting Streptococcus mutans sortase A

et al. 2017

View full text Add to dashboard Cite

Dental caries is one of the most common chronic diseases and is caused by acid fermentation of bacteria adhered to the teeth. Streptococcus mutans (S. mutans) utilizes sortase A (SrtA) to anchor surface proteins to the cell wall and forms a biofilm to facilitate its adhesion to the tooth surface. Some plant natural products, especially several flavonoids, are effective inhibitors of SrtA. However, given the limited number of inhibitors and the development of drug resistance, the discovery of new inhibitors is urgent. Here, the high-throughput virtual screening approach was performed to identify new potential inhibitors of S. mutans SrtA. Two libraries were used for screening, and nine compounds that had the lowest scores were chosen for further molecular dynamics simulation, binding free energy analysis and absorption, distribution, metabolism, excretion and toxicity (ADMET) properties analysis. The results revealed that several similar compounds composed of benzofuran, thiadiazole and pyrrole, which exhibited good affinities and appropriate pharmacokinetic parameters, were potential inhibitors to impede the catalysis of SrtA. In addition, the carbonyl of these compounds can have a key role in the inhibition mechanism. These findings can provide a new strategy for microbial infection disease therapy.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

In silico identification of potential inhibitors targeting Streptococcus mutans sortase A

et al. 2017

View full text Add to dashboard Cite

show abstract

Variations in the Components and Antioxidant and Tyrosinase Inhibitory Activities of Styphnolobium japonicum (L.) Schott Extract during Flower Maturity Stages

Wang

Tan

et al. 2019

Chemistry & Biodiversity

View full text Add to dashboard Cite

Styphnolobium japonicum (L.) Schott is widely cultivated in China, and its flowers and flower buds (FFB‐SJ) are commonly used as traditional Chinese medicine. This work aimed to assess variations in the chemical components and antioxidant and tyrosinase inhibitory activities of S. japonicum extract during five flower maturity stages (ES1–ES5). The results showed that the contents of total flavonoids, rutin, and narcissin were highest at ES1, whereas the contents of quercetin and isorhamnetin were highest at ES3. ES1 presented considerable antioxidant activities in terms of reducing power (RP) and 1,1‐diphenyl‐2‐picrylhydrazyl radical (DPPH.) and hydroxyl radical (.OH) scavenging capacity, whereas ES3 showed excellent tyrosinase inhibitory activity and 2,2′‐azinobis(3‐ethylbenzothiazoline‐6‐sulfonic acid) radical (ABTS.+)‐ and O2.−‐scavenging capacity. Rutin and quercetin are the main bioactive components of FFB‐SJ with antioxidant and tyrosinase inhibition, and the immature flower buds of S. japonicum (S2 and S3) with excellent biological activities and relatively high extract yields were the best for product development.

show abstract

Sophora japonica L. bioactives: Chemistry, sources, and processing techniques

Guo,

Chen,

Cao

et al. 2024

Food Frontiers

View full text Add to dashboard Cite

Sophora japonica L. is an edible and medicinal woody plant of the legume family. Aside from the well‐known flower and fruit parts, the branches, leaves, roots, and its parasitic fungi contain various bioactive compounds. Besides being consumed as a ready‐to‐eat food, S. japonica is generally processed into extracts and bioactive compounds for use as food ingredients, pharmaceuticals, and cosmetic products. Various extraction and separation techniques have been applied to obtain bioactive compounds from S. japonica. However, details of the extraction and separation techniques for these compounds, such as the methods, parameters, and corresponding yields, are rarely presented. This review aims to provide a comprehensive overview of the different bioactive compounds of S. japonica, their chemistry, sources, and processing techniques to promote green advanced processing technologies for obtaining them and promote the development of S. japonica bioactive compounds as commercial products for the food and healthcare sector.

show abstract

Streptococcus mutans sortase A inhibitory metabolites from the flowers of Sophora japonica

Cited by 38 publications

References 15 publications

In silico identification of potential inhibitors targeting Streptococcus mutans sortase A

In silico identification of potential inhibitors targeting Streptococcus mutans sortase A

Variations in the Components and Antioxidant and Tyrosinase Inhibitory Activities of Styphnolobium japonicum (L.) Schott Extract during Flower Maturity Stages

Sophora japonica L. bioactives: Chemistry, sources, and processing techniques

Contact Info

Product

Resources

About