Identification of the Constituents of Percutaneous Absorption from <i>Duhaldea nervosa</i> Based on UHPLC-Q-Exactive Orbitrap MS and Microdialysis Technique

Liu, Lianghong; Zhu, Lian; Gong, Kaiyan; Zhi, Xinjun; Guan, Ying; Cai, Wei

doi:10.1155/2019/8328942

Cited by 5 publications

(3 citation statements)

References 16 publications

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“…Overall, 74 compounds are defined in Table S2 . Five main peaks at 11.23 min, 25.29 min, 33.10 min, 33.33 min, and 41.58 min were analyzed by MS/MS fragments according to previous studies ( Figure 3 , Table S2 ), and defined as the caffeoyl quinic acid (CQA) [ 20 , 21 ], Hispiduloside [ 22 ], Tryptanthrin [ 23 , 24 ], Hispidulin [ 22 ] and Indirubin [ 25 , 26 ], respectively. Among them, the Tryptanthrin (peak at 33.1 min) showed the highest effective inhibition on the PRSP F3983 with MIC 25 µg/mL ( Table 3 ).…”

Section: Resultsmentioning

confidence: 99%

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

et al. 2023

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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.

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Section: Resultsmentioning

confidence: 99%

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

et al. 2023

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“…With encouraging results obtained in the in vitro studies presented, future works need to concentrate on in vivo models, with several techniques such as micro-dialysis and tape stripping [ 76 , 77 ] outlined. These in vivo studies would offer the benefit of using a physiologically and metabolically active system; however, the necessity for radiolabelled material to allow accurate results and the difficulty in detecting the early absorption phase might represent significant limitations.…”

Section: Future Directions and Limitationsmentioning

confidence: 99%

Hydrophobically Grafted Pullulan Nanocarriers for Percutaneous Delivery: Preparation and Preliminary In Vitro Characterisation

2021

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Polymeric colloidal nanocarriers formulated from hydrophobically grafted carbohydrates have been the subject of intensive research due to their potential to increase the percutaneous penetration of hydrophilic actives. To this goal, a series of hydrophobically grafted pullulan (BMO-PUL) derivatives with varying degree of grafting (5–64%) was prepared through functionalisation with 2-(butoxymethyl)oxirane. The results demonstrated that monodispersed BMO-PUL nanocarriers (size range 125–185 nm) could be easily prepared via nanoprecipitation; they exhibit close-to-spherical morphology and adequate stability at physiologically relevant pH. The critical micellar concentration of BMO-PUL was found to be inversely proportional to their molecular weight (Mw) and degree of grafting (DG), with values of 60 mg/L and 40 mg/L for DG of 12.6% and 33.8%, respectively. The polymeric nanocarriers were loaded with the low Mw hydrophilic active α-arbutin (16% loading), and the release of this active was studied at varying pH values (5 and 7), with a slightly faster release observed in acidic conditions; the release profiles can be best described by a first-order kinetic model. In vitro investigations of BMO-PUL nanocarriers (concentration range 0.1–4 mg/mL) using immortalised skin human keratinocytes cells (HaCaT) evidenced their lack of toxicity, with more than 85% cell viability after 24 h. A four-fold enhance in arbutin permeation through HaCaT monolayers was recorded when the active was encapsulated within the BMO-PUL nanocarriers. Altogether, the results obtained from the in vitro studies highlighted the potential of BMO-PUL nanocarriers for percutaneous delivery applications, which would warrant further investigation in vivo.

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“…UHPLC-Q-exactive orbitrap HRMS is widely used for the detection and identification of impurities, as UHPLC (ultrahigh-performance liquid chromatography) provides a rapid and effective separation, while HRMS (high-resolution mass spectrometry) offers accurate mass and fragment ions, which are beneficial for structural elucidation [ 8 , 9 ]. It is known that all LC-MS methods are based on a volatile salt in mobile phase.…”

Section: Introductionmentioning

confidence: 99%

Structural Identification of Impurities in Pioglitazone Hydrochloride Preparations by 2D-UHPLC-Q-Exactive Orbitrap HRMS and Their Toxicity Prediction

Zhang,

Wang,

Zhao

et al. 2023

International Journal of Analytical Chemistry

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Pharmaceutical companies and regulatory agencies have more and more concerns for impurities in pharmaceuticals and their toxicity. In this work, heart-cutting two-dimensional ultrahigh-performance liquid chromatography (2D-UHPLC) in combination with high-resolution mass spectrometry (HRMS) was used, setting HRMS as positive mode of electrospray ionization to identify five impurities in pioglitazone hydrochloride preparations. With the heart-cutting 2D-UHPLC and online desalting technique, the structures of five impurities were deduced in an analysis of MSn data. And three of them, Impurity-2, Impurity-3, and Impurity-5, have never been reported before. The fragmentation patterns of five impurities were proposed on a basis of accurate mass and fragment ions in this study. Since the toxicity of impurities is relevant to their structures, toxicology of all five impurities was predicted by three software tools, and the result showed that these compounds have good safety profile.

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Identification of the Constituents of Percutaneous Absorption from Duhaldea nervosa Based on UHPLC-Q-Exactive Orbitrap MS and Microdialysis Technique

Cited by 5 publications

References 16 publications

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

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

Hydrophobically Grafted Pullulan Nanocarriers for Percutaneous Delivery: Preparation and Preliminary In Vitro Characterisation

Structural Identification of Impurities in Pioglitazone Hydrochloride Preparations by 2D-UHPLC-Q-Exactive Orbitrap HRMS and Their Toxicity Prediction

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