Analytical Methods
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2025
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IF 2.6
Zhengwen yu,Yuyu Yuan,Lian Xie,Feng Yang,Tingting Zhang,Danmei Liu,Jie Chen
Insect tea, a special non-Camellia tea, is renowned as the "Chinese Kopi Luwak." Its traditional raw materials include Malus sieboldii, Platycarya strobilacea and Litsea coreana. Recently, Nekemias grossedentata (NG), the king of plant flavonoids, has garnered significant attention as a novel raw material. However, it is still unclear what changes have taken place in the metabolites of raw materials during the production ofNG insect tea (NGIT). This study employed ultra-high-performance liquid chromatography-tandem mass spectrometry to analyze the metabolites of NGIT and NG. Totally, 837 secondary metabolites were identified, with 387 different metabolites and 89 upregulated in NGIT. Further analysis using the Traditional Chinese Medicine System Pharmacology(TCMSP) database revealed that 217 identified metabolites were active ingredients of traditional Chinese medicine (TCM), including 92 key active ingredients. Notably, the 19 upregulated TCM active compounds in NGIT are all related to neurological disorders. The contents of anacardic acid and octahydrocurcumin increased significantly by 11.51-fold and 10.41-fold, respectively. This study provides chemical evidence supporting the functional exploration of NGIT.
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高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
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2024
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IF 4.8
Feifan Liu,Yuanmei Bai,Xue Wu,Yan Wan,Shifang Luo,Linao Zhang,Tao Li,Hua Tang,Xianjin Tang,Rong Chen,Qinghua Chen,Yuhuan Xie,Peixin Guo
Ethnopharmacological relevance Allergic rhinitis (AR) stands as a non-infectious inflammatory condition affecting the nasal mucosa, marked by bouts of sneezing, nasal itching, and congestion. This ailment afflicts individuals across all age groups and poses challenges for effective treatment due to its chronic nature. Cangerzisan (CEZS), documented in the Jishengfang compendium, represents a traditional Chinese medicinal formula long utilized for AR management. Aim of the study : Investigating mechanism beneath therapeutic effect of CEZS in alleviating AR. Materials and methods The main active components in CEZS were determined by High Performance Liquid Chromatography (HPLC).The active constituents of CEZS and their corresponding targets were identified through an exhaustive screening process employing TCMSP database. To identify targets relevant to AR, GeneCards, OMIM, and DisGeNET databases were thoroughly applied. Protein-protein interaction (PPI) network was assembled utilizing STRING platform. Potential signaling pathways influenced by CEZS were delineated through GO and KEGG enrichment analyses. Subsequently, an AR model was induced by administering aluminum hydroxide (Al(OH)3) and ovalbumin (OVA) for affecting basal and local sensitization, respectively, facilitating experimental validation of the principal signaling pathways. Results There were 61 active constituents identified within CEZS, targeting a pool of 129 entities associated with AR treatment. Pathways analysis of KEGG revealed that CEZS potentially inhibits AR advancement via modulating TLR4 signaling pathway. Animal experiments demonstrated that CEZS effectively alleviated symptom scores in guinea pigs with AR. Moreover, it exhibited notable improvements in serum immune and inflammatory factors levels, as well as reduced inflammatory infiltration within nasal mucosa, including goblet and mast cells. CEZS was found to enhance GATA-3 expression while reducing T-bet expression, thereby modulating the TH1/TH2 immune balance. Additionally, CEZS downregulated HMGB1, TLR4, and p–NF–κB/NF-κB protein expressions within nasal mucosa of guinea pigs. Conclusions The therapeutic mechanism of CEZS against AR involves rectifying TH1/TH2 immune imbalance and upregulating inflammatory and immune factors through modulating key proteins expression within TLR4 pathway. This targeted regulation effectively impedes AR progression.
研究领域:
民族药理学
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药理学
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免疫学
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传统中药
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生物信息学
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实验验证
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BIOORGANIC & MEDICINAL CHEMISTRY
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2024
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IF 3.3
Yanhong Niu,Zhili Wu,Qianfang Hu,Yuchen Wu,Qihua Jiang,Xiaolan Yang
Acetohydroxy acid synthase (AHAS) is a key enzyme that catalyzes the synthesis of branched-chain amino acids, which is indispensable for the survival and growth of Mycobacterium tuberculosis ( Mtb ). Aim to discover new AHAS inhibitors from natural products, here we performed computer assistant target-based screening for Mtb- AHAS inhibitors using Discovery Studio on TCMSP and SELLECK libraries. Mtb -AHAS structure was first simulated and verified for docking, and 80 compounds with top LIBDOCK and CDDOCK scores were obtained. By experimental verification, four compounds namely Salvianolic acid A, Embelin, Celastrol and Wushanicaritin showed inhibition potency against Mtb- AHAS with IC50 ranging from 805.5 nM–32.36 μM. The most potential inhibitor Celastrol exhibited bacteriostatic activity for both Mycobacterium smegmatis and Mycobacterium tuberculosis with MIC of 62.5 μM and 80 μM, respectively. This study revealed that Celastrol is the potential Mtb- AHAS inhibitor as an anti-tuberculosis lead compound.
研究领域:
药理学
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微生物学
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药物发现
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计算生物学
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BMC Complementary Medicine and Therapies
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2024
·Vol. 24
·期 1
·1-15
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IF 3.3
He Yu,Liu Fei,He Mingjuan,Long Fayu,Hu Ding,Chen Jingwen,Fang Miao,Wang Zhenlong
The purpose of this study was to investigate the mechanism by which resveratrol (Res) inhibits apoptosis and promotes proliferation and differentiation of pre-osteoblastic MC3T3-E1 cells, laying the groundwork for the treatment of osteoporosis (OP). The TCMSP database was used to find the gene targets for Res. The GeneCards database acquire the gene targets for OP. After discovering the potential target genes, GO, KEGG, and Reactome enrichment analysis were conducted. Verifying the major proteins involved in apoptosis can bind to Res using molecular docking. CCK8 measured the proliferative activity of mouse pre-osteoblasts in every group following Res intervention. Alkaline phosphatase staining (ALP) and alizarin red staining to measure the ability of osteogenic differentiation. RT-qPCR to determine the expression levels of Runx2 and OPG genes for osteogenic differentiation ability of cells. Western blot to measure the degree of apoptosis-related protein activity in each group following Res intervention. The biological processes investigated for GO of Res therapeutic OP involved in cytokine-mediated signaling pathway, negative regulation of apoptotic process, Aging, extrinsic apoptotic signaling pathway in absence of ligand, according to potential therapeutic target enrichment study. Apoptosis, FoxO signaling pathway, and TNF signaling pathway are the primary KEGG signaling pathways. Recactome pathways are primarily engaged in Programmed Cell Death, Apoptosis, Intrinsic Apoptotic Pathway, and Caspase activation via extrinsic apoptotic signaling pathways. This research established a new approach for Res treatment of OP by demonstrating how Res controls the apoptosis-related proteins TNF, IL6, and CASP3 to suppress osteoblast death and increase osteoclastogenesis.
研究领域:
药理学
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细胞生物学
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分子生物学
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生物信息学
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骨生物学
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网络医学
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高影响因子
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