Combining the In Silico and In Vitro Assays to Identify Strobilanthes cusia Kuntze Bioactives against Penicillin-Resistant Streptococcus pneumoniae

Han, Xiaoyu1; Jin, Lu1; Zhao, Zhimin1; Xu, Xinjun1; Liu, Shiyi2; Huang, Yuquan3; Liu, Xiaoli4; Xu, Yuehong1; Yang, Depo1; Huang, Wei2; Wang, Li4,5

2023

10.3390/ph16010105

PHARMACEUTICALS   影响因子和分区

1424-8247

Leaves of Strobilanthes cusia Kuntze (S. cusia) are a widely used alexipharmic Traditional Chinese Medicine (TCM) in southern China for the prevention of cold and respiratory tract infectious diseases. One of the most common bacterial pathogens in the respiratory tract is the gram-positive bacterium Streptococcus pneumoniae. The antibiotic resistance of colonized S. pneumoniae makes it a more serious threat to public health. In this study, the leaves of S. cusia were found to perform antibacterial effects on the penicillin-resistant S. pneumoniae (PRSP). Confocal assay and Transmission Electron Microscopy (TEM) monitored the diminished cell wall integrity and capsule thickness of the PRSP with treatment. The following comparative proteomics analysis revealed that the glycometabolism-related pathways were enriched for the differentially expressed proteins between the samples with treatment and the control. To further delve into the specific single effective compound, the bio-active contents of leaves of S. cusia were analyzed by UPLC-UV-ESI-Q-TOF/MS, and 23 compounds were isolated for anti-PRSP screening. Among them, Tryptanthrin demonstrated the most promising effect, and it possibly inhibited the N-glycan degradation proteins, as suggested by reverse docking analysis in silico and further experimental verification by the surface plasmon resonance assay (SPR). Our study provided a research foundation for applications of the leaves of S. cusia as a TCM, and supplied a bio-active compound Tryptanthrin as a candidate drug skeleton for infectious diseases caused by the PRSP.

Strobilanthes cusia penicillin-resistant Streptococcus pneumoniae proteomics reverse docking

SCI

英语

通讯

Agricultural Science and Technology Innovation and Promotion in Guangdong[2023KJ142] ; Provincial Key R&D Program of Guangdong[2020B020221002] ; National Key Research and Development Program of China[2020YFA0907900] ; National Natural Science Foundation of China[32070242] ; National Nature Science Foundation of China[82173859] ; Shenzhen Key Laboratory of Prevention and Treatment of Severe Infections (China)[ZDSYS20200811142804014]

Pharmacology & Pharmacy

Chemistry, Medicinal ; Pharmacology & Pharmacy

WOS:000918961400001

MDPI

Web of Science

1.Sun Yat sen Univ, Sch Pharmaceut Sci, Guangzhou 510006, Peoples R China
2.Jinan Univ, Southern Univ Sci & Technol, Shenzhen Peoples Hosp, Affiliated Hosp 1,Bacteriol & Antibacterial Resist, Shenzhen 518001, Peoples R China
3.China Resources Sanjiu Med & Pharmaceut Co Ltd, Shenzhen 518110, Peoples R China
4.Chinese Acad Agr Sci, Agr Genom Inst Shenzhen, Shenzhen Branch, Guangdong Lab Lingnan Modern Agr,Key Lab Synthet B, Shenzhen 518000, Peoples R China
5.Kunpeng Inst Modern Agr Foshan, Foshan 528225, Peoples R China

Han, Xiaoyu,Jin, Lu,Zhao, Zhimin,et al. Combining the In Silico and In Vitro Assays to Identify Strobilanthes cusia Kuntze Bioactives against Penicillin-Resistant Streptococcus pneumoniae[J]. PHARMACEUTICALS,2023,16(1).

Han, Xiaoyu.,Jin, Lu.,Zhao, Zhimin.,Xu, Xinjun.,Liu, Shiyi.,...&Wang, Li.(2023).Combining the In Silico and In Vitro Assays to Identify Strobilanthes cusia Kuntze Bioactives against Penicillin-Resistant Streptococcus pneumoniae.PHARMACEUTICALS,16(1).

Han, Xiaoyu,et al."Combining the In Silico and In Vitro Assays to Identify Strobilanthes cusia Kuntze Bioactives against Penicillin-Resistant Streptococcus pneumoniae".PHARMACEUTICALS 16.1(2023).