Systematic elucidation of the bioactive alkaloids and potential mechanism from Sophora flavescens for the treatment of eczema via network pharmacology

Lin, Yi; Chen, Xingjun; He, Lei; Yan, Xue-Long; Li, Qi-Rui; Zhang, Xu; He, Ming-Hui; Chang, Shuai; Tang, Bo; Long, Qing-De; Zeng, Zhu

doi:10.1016/j.jep.2022.115799

Cited by 10 publications

(5 citation statements)

References 27 publications

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“…The blood–brain barrier value is −0.77, signifying the drug's ability to penetrate the blood–brain barrier, predominantly determined by the concentration ratio in the brain to that in the blood and influenced by factors such as the octanol–water partition coefficient (Zhu et al., 2018). An OB value below 30% is considered low, and a DL value exceeding 0.18 is regarded as high (Lin et al., 2023).…”

Section: Resultsmentioning

confidence: 99%

“…The intestinal epithelial permeability (Caco-2) is 0.05, indicating the difficulty of drug absorption through the intestinal tract in vivo, which directly impacts drug oral bioavailability (OB%) (Khalid Danish et al, 2022).The blood-brain barrier value is −0.77, signifying the drug's ability to penetrate the blood-brain barrier, predominantly determined by the concentration ratio in the brain to that in the blood and influenced by factors such as the octanol-water partition coefficient (Zhu et al, 2018). An OB value below 30% is considered low, and a DL value exceeding 0.18 is regarded as high (Lin et al, 2023).…”

Section: Pharmacokinetic Parameters Of Quercetinmentioning

confidence: 99%

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Quercetin alleviates hyperoxia‐induced bronchopulmonary dysplasia by inhibiting ferroptosis through the MAPK/PTGS2 pathway: Insights from network pharmacology, molecular docking, and experimental evaluations

Deng,

Chen,

Xie

et al. 2024

Chem Biol Drug Des

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Quercetin, a bioactive natural compound renowned for its potent anti‐inflammatory, antioxidant, and antiviral properties, has exhibited therapeutic potential in various diseases. Given that bronchopulmonary dysplasia (BPD) development is closely linked to inflammation and oxidative stress, and quercetin, a robust antioxidant known to activate NRF2 and influence the ferroptosis pathway, offers promise for a wide range of age groups. Nonetheless, the specific role of quercetin in BPD remains largely unexplored. This study aims to uncover the target role of quercetin in BPD through a combination of network pharmacology, molecular docking, computer analyses, and experimental evaluations.

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Section: Resultsmentioning

confidence: 99%

Section: Pharmacokinetic Parameters Of Quercetinmentioning

confidence: 99%

Quercetin alleviates hyperoxia‐induced bronchopulmonary dysplasia by inhibiting ferroptosis through the MAPK/PTGS2 pathway: Insights from network pharmacology, molecular docking, and experimental evaluations

Deng,

Chen,

Xie

et al. 2024

Chem Biol Drug Des

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“…The blood-brain barrier represents the ability of a drug to penetrate the blood-brain barrier and is mainly demonstrated by the ratio of its concentration in the brain to that in the blood, whose value is influenced by factors such as octanol-water partition coefficient ( Zhu et al, 2018 ). If the OB value is less than 30%, it is considered as low; if the DL value was more than 0.18, it is regarded as high ( Lin et al, 2022 ). Based on the combined analysis of the above parameters, Celastrol has a high probability of becoming a drug, but relatively poorer water solubility and poorer oral bioavailability.…”

Section: Resultsmentioning

confidence: 99%

Exploration of the effect of Celastrol on protein targets in nasopharyngeal carcinoma: Network pharmacology, molecular docking and experimental evaluations

et al. 2022

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Background: Celastrol, an important extract of Tripterygium wilfordii, shows strong antitumor activity in a variety of tumors including nasopharyngeal carcinoma (NPC). However, little is known about its targets in NPC. We aimed to screen the key gene targets of Celastrol in the treatment of NPC by means of in silico analyses (including network pharmacology and molecular docking) and experimental evaluations.Methods: The main target genes of Celastrol and the genes related to NPC were obtained by retrieving the relevant biological databases, and the common targets were screened. Protein-protein interaction analysis was used to screen the hub genes. Then, a “compound-target-disease” network model was created and molecular docking was used to predict the binding of Celastrol to the candidate hub proteins. Afterward, the expression changes of the candidate genes under the administration of Celastrol were verified in vitro and in vivo.Results: Sixty genes common to Celastrol and NPC were screened out, which may be related to numerous biological processes such as cell proliferation, apoptosis, and tube development, and enriched in various pathways such as PI3K- Akt, EGFR tyrosine kinase inhibitor resistance, and Apoptosis. The tight binding ability of the candidate hub proteins (TNF, VEGFA, and IL6) to Celastrol was predicted by molecular docking [Docking energy: TNF, −6.08; VEGFA,−6.76; IL6,−6.91(kcal/mol)]. In vitro experiments showed that the expression of TNF and VEGFA decreased while the expression of IL6 increased in NPC cells (CNE2 and HONE1) treated with Celastrol. In vivo experiments suggested that Celastrol significantly reduced the weight and volume of the transplanted tumors in tumor-bearing mice in vivo. The expression of TNF, VEGFA, and IL6 in the transplanted tumor cells could be regulated by using Celastrol, and the expression trends were consistent with the in vitro model.Conclusion: Several gene targets have been filtered out as the core targets of Celastrol in the treatment of NPC, which might be involved in a variety of signaling pathways. Hence, Celastrol may exert its anti-NPC activity through multiple targets and multiple pathways, which will provide new clues for further research. Future experiments are warranted to validate the findings.

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“…The root of Sophora flavescens , also known as Kushen (Radix Sophorae Flavescentis), is commonly used to treat skin diseases and bacterial diarrhea in China and other Asian countries [21] , [22] . Previous studies have found that S. flavescens contains abundant alkaloids and flavonoids, which showed excellent antibacterial activity [23] , [24] .…”

Section: Introductionmentioning

confidence: 99%

Antimicrobial activities of lavandulylated flavonoids in Sophora flavences against methicillin-resistant Staphylococcus aureus via membrane disruption

Weng

Zeng

Wang

et al. 2024

Journal of Advanced Research

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Systematic elucidation of the bioactive alkaloids and potential mechanism from Sophora flavescens for the treatment of eczema via network pharmacology

Cited by 10 publications

References 27 publications

Quercetin alleviates hyperoxia‐induced bronchopulmonary dysplasia by inhibiting ferroptosis through the MAPK/PTGS2 pathway: Insights from network pharmacology, molecular docking, and experimental evaluations

Quercetin alleviates hyperoxia‐induced bronchopulmonary dysplasia by inhibiting ferroptosis through the MAPK/PTGS2 pathway: Insights from network pharmacology, molecular docking, and experimental evaluations

Exploration of the effect of Celastrol on protein targets in nasopharyngeal carcinoma: Network pharmacology, molecular docking and experimental evaluations

Antimicrobial activities of lavandulylated flavonoids in Sophora flavences against methicillin-resistant Staphylococcus aureus via membrane disruption

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