Phytochemistry最新文献

{"title":"Corrigendum to ‘Isolation of undescribed cladosporols and spirobisnaphthalenes from a plant pathogen Cladosporium cladosporioides F-10-2-A’ [Phytochemistry. 222 (2024) 114073]","authors":"Peng Li , Zi Jin Zhang , Yu Tong Guo , Jing Guan , Lin Bo Wen Xi , Li Ping Lin","doi":"10.1016/j.phytochem.2025.114578","DOIUrl":"10.1016/j.phytochem.2025.114578","url":null,"abstract":"","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":"238 ","pages":"Article 114578"},"PeriodicalIF":3.2,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144294786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Kadcoccinoids A-K, triterpenoids from Kadsura coccinea with PCSK9 expression inhibitory activities","authors":"Yelin Duan ,&nbsp;Tong Chen ,&nbsp;Pengju Guo ,&nbsp;Chenyue Li ,&nbsp;Yihan Chen ,&nbsp;Mingge Zhang ,&nbsp;Mengkun Yan ,&nbsp;Wenqiong Wang ,&nbsp;Lijiang Xuan","doi":"10.1016/j.phytochem.2025.114584","DOIUrl":"10.1016/j.phytochem.2025.114584","url":null,"abstract":"<div><div>Two undescribed protostane-type triterpenoids (<strong>1</strong>–<strong>2</strong>), and nine undescribed lanostane-type triterpenoids (<strong>3</strong>–<strong>11</strong>), along with nine known compounds (<strong>12</strong>–<strong>20</strong>) were isolated from the stems of <em>Kadsura coccinea</em>. Their chemical structures were elucidated by extensive spectroscopic analyses, Mosher's method, X-ray crystallography, and electronic circular dichroism calculations. Kadcoccinoid A (<strong>1</strong>) possesses an undescribed 6/6/8-fused carbocyclic core containing a rare bicyclo [4.2.1] nonan-9-one system and proposed plausible biosynthetic pathway. Additionally, kadcoccinoid B (<strong>2</strong>) significantly decreased PCSK9 protein levels in the medium of HepG2 cells at 10 μM with an inhibition rate of 78.4 % and increased LDL uptake at 5 and 10 μM, while compounds <strong>12</strong>–<strong>14</strong> showed moderate PCSK9 inhibitory activities.</div></div>","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":"238 ","pages":"Article 114584"},"PeriodicalIF":3.2,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Uncamarins A–D, oxindole alkaloids from Philippine Uncaria longiflora and their anti-amyloidogenic properties","authors":"Sarleen G. Castro ,&nbsp;Eisuke Hosoya ,&nbsp;Mariko Kitajima ,&nbsp;Hiroyuki Nakamura ,&nbsp;Joe Anthony H. Manzano ,&nbsp;Grecebio Jonathan D. Alejandro ,&nbsp;Mario A. Tan ,&nbsp;Hayato Ishikawa","doi":"10.1016/j.phytochem.2025.114585","DOIUrl":"10.1016/j.phytochem.2025.114585","url":null,"abstract":"<div><div>Eight oxindole alkaloids of the <em>Corynanthe</em>-type, including four previously undescribed compounds, uncamarins A–D (<strong>1</strong>–<strong>4</strong>), were isolated from the leaves of <em>Uncaria longiflora</em> (Poir.) Merr. (Rubiaceae family) collected in the Philippines. The structures of the previously undescribed compounds were elucidated based on extensive spectroscopic data such as NMR, ECD, UV, IR, and HRESIMS, whereas known compounds were identified by comparison with published literature. Their anti-amyloidogenic activity was evaluated using a thioflavin T (ThT) fluorescence assay at 100 μg/ml. All compounds exhibited inhibitory activity, with <strong>5</strong> (78.44 % ± 1.63) displaying the highest % inhibition, followed by <strong>4</strong> (77.91 % ± 0.22) and <strong>2</strong> (70.40 % ± 1.93), comparable to the positive control, phenol red (82.73 ± 0.84). These results were supported by molecular docking, where compounds <strong>2</strong> (−7.5 kcal/mol), <strong>4</strong> (−7.1 kcal/mol), and <strong>5</strong> (−7.2 kcal/mol) exhibited strong binding affinities to the dodecameric structure of the amyloid-β₄₂ protein. Notably, compound <strong>4</strong> also docked in silico to the active site of acetylcholinesterase, a key enzyme targeted in Alzheimer's disease (AD) therapy, thereby highlighting its potential for multitargeting in AD.</div></div>","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":"238 ","pages":"Article 114585"},"PeriodicalIF":3.2,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144307958","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anti-inflammatory glycosides from Gomphandra mollis Merr.: Structural elucidation and mechanistic insights","authors":"Quoc-Dung Tran Huynh ,&nbsp;Thuy-Tien Thi Phan ,&nbsp;Man-Hsiu Chu ,&nbsp;Thanh-Vu Nguyen ,&nbsp;Truc-Ly Thi Duong ,&nbsp;Su-Jung Hsu ,&nbsp;Yun-Han Wang ,&nbsp;Ngoc-Thac Pham ,&nbsp;Bien-Thuy Nguyen Bui ,&nbsp;Dang-Khoa Nguyen ,&nbsp;Thanh-Hoa Vo ,&nbsp;Ta-Wei Liu ,&nbsp;Ching-Kuo Lee","doi":"10.1016/j.phytochem.2025.114583","DOIUrl":"10.1016/j.phytochem.2025.114583","url":null,"abstract":"<div><div>Eight previously unreported glycosides, designated gomphandranosides I–VIII, along with nine known compounds, were isolated from the roots of <em>Gomphandra mollis</em> Merr. Their structures were elucidated through comprehensive spectroscopic analyses, including NMR, HR-ESI-MS, CD, DP4+ probability, and ECD calculations. The anti-inflammatory activities of the isolated compounds were assessed using nitric oxide inhibition assays in LPS-stimulated RAW264.7 macrophages. Compounds <strong>5</strong>, <strong>10</strong>, and <strong>16</strong> exhibited significant anti-inflammatory activity with IC₅₀ values of 7.56 ± 0.9, 15.0 ± 1.2, and 14.2 ± 0.9 μM, respectively. Network pharmacology, gene ontology, Kyoto Encyclopedia of Genes and Genomes analysis, and molecular docking studies identified IL-6, TNF-α, MMP9, PTGS2, and HIF1A as key targets, with potentially involved in the NF-<em>κ</em>B and IL-17 signaling pathways. These findings highlight <em>G. mollis</em> as a promising candidate for the treatment of inflammation-related diseases.</div></div>","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":"239 ","pages":"Article 114583"},"PeriodicalIF":3.2,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144310308","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Coumarins and betulinic acid analogues from Mammea americana and their inhibitory activities on oncogenic MAPK/ERK and PI3K/AKT pathways in human melanoma cells","authors":"Ruzhe Han ,&nbsp;Tamara Balsiger ,&nbsp;Maciej Dobrzyński ,&nbsp;Lara Dürr ,&nbsp;Tanja Hell ,&nbsp;Martin Smieško ,&nbsp;Pablo N. Solis ,&nbsp;Matthias Hamburger ,&nbsp;Olivier Pertz ,&nbsp;Robin Teufel ,&nbsp;Eliane Garo","doi":"10.1016/j.phytochem.2025.114580","DOIUrl":"10.1016/j.phytochem.2025.114580","url":null,"abstract":"<div><div>Melanoma, a highly aggressive form of skin cancer, is primarily driven by two key oncogenic signaling pathways: MAPK/ERK and PI3K/AKT. In a discovery program aiming to identify natural products that inhibit one or both pathways, an in-house library of 2′576 plant extracts was screened using a high-content screening assay with melanoma cells expressing ERK/AKT activity biosensors to quantify inhibition at the single-cell level. The ethyl acetate extract from the leaves of <em>Mammea americana</em> was found to inhibit both pathways in the patient-derived cell line MM121224 and was selected for HPLC-based activity profiling. Scale-up isolation of the compounds eluting in the active window of the chromatogram afforded ten previously undescribed betulinic acid analogues (<strong>1</strong>–<strong>10</strong>), along with nine known coumarins (<strong>11</strong>–<strong>19</strong>). The isolated compounds were individually evaluated for their inhibitory activity on ERK and AKT in MM121224 cells. Interestingly, none of the betulinic acid derivatives <strong>1</strong>–<strong>10</strong> showed activity in the assay. In contrast, the isolated coumarins were shown to inhibit both pathways, with the most potent theraphin B (<strong>11</strong>) exhibiting an IC₅₀ value of 37.0 ± 0.4 μM against the AKT pathway, while also demonstrating weaker activity against the ERK pathway.</div></div>","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":"238 ","pages":"Article 114580"},"PeriodicalIF":3.2,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144291644","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discovery of potent ATP citrate lyase inhibitors from Tripterygium wilfordii Hook. f.: a structural and bioactivity analysis","authors":"Boquan Qu ,&nbsp;Jixia Wang ,&nbsp;Yan Li ,&nbsp;Tao Hou ,&nbsp;Xiaonian Li ,&nbsp;Dian Liu ,&nbsp;Yang Han ,&nbsp;Zhimou Guo ,&nbsp;Fengbin Luo ,&nbsp;Feifei Huang ,&nbsp;Yunhui Zhu ,&nbsp;Jiatao Feng ,&nbsp;Qing Xu ,&nbsp;Yanfang Liu ,&nbsp;Xinmiao Liang","doi":"10.1016/j.phytochem.2025.114581","DOIUrl":"10.1016/j.phytochem.2025.114581","url":null,"abstract":"<div><div>Seven undescribed compounds (<strong>1</strong>–<strong>2, 7, 14</strong> and <strong>25</strong>–<strong>27</strong>), and twenty-three known compounds (<strong>3</strong>–<strong>6, 8</strong>–<strong>13, 15</strong>–<strong>24</strong> and <strong>28</strong>–<strong>30</strong>) were isolated using multidimensional preparative chromatography from supercritical fluid extracts of <em>Tripterygium wilfordii</em> Hook. f., comprising two sesquiterpenoid macrolide alkaloids, two diterpenoids, and three triterpenoid compounds. Their structures were elucidated using a comprehensive analysis of NMR spectroscopic data and by comparing the experimental and calculated ECD data. Furthermore, the absolute stereochemistry of compound <strong>2</strong> was unambiguously confirmed by single-crystal X-ray diffraction analysis. The inhibitory activities of the isolated compounds on ATP citrate lyase were systematically evaluated. Compounds <strong>19</strong>, <strong>24</strong>, <strong>25</strong>, <strong>26</strong> and <strong>28</strong> exhibited notable inhibitory effects, with compound <strong>19</strong> displaying an IC₅₀ value of 0.44 ± 0.04 μM.</div></div>","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":"239 ","pages":"Article 114581"},"PeriodicalIF":3.2,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144302656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Coumarins isolated from Paederia scandens (Lour.) Merr. and their anti-neuroinflammatory activity","authors":"Huadong Li ,&nbsp;Wenxin Zhang ,&nbsp;Junjie Cai ,&nbsp;Luxi Chen ,&nbsp;Yihai Wang ,&nbsp;Jingwen Xu ,&nbsp;Xiangjiu He","doi":"10.1016/j.phytochem.2025.114579","DOIUrl":"10.1016/j.phytochem.2025.114579","url":null,"abstract":"<div><div>The aerial parts of <em>Paederia scandens</em> (Lour.) Merr. were subjected to aqueous extraction followed by systematic isolation and purification using sequential chromatographic techniques. Twenty-one coumarins, including six previously undescribed ones, were obtained. Their structures were elucidated based on comprehensive analyses of HR-ESI-MS, NMR and ECD data. The anti-neuroinflammatory activity of the isolated coumarins was evaluated using an LPS-induced neuroinflammation model in BV-2 microglia cells. Fraxin methyl ether (<strong>2</strong>) demonstrated significant inhibition of nitric oxide (NO) production, with an IC₅₀ value of 17.07 ± 2.88 μM. Mechanistic investigations revealed that <strong>2</strong> suppressed the nuclear translocation of NF-<em>κ</em>B and downregulated the expression of pro-inflammatory mediators (iNOS, COX-2) and cytokines (IL-1β, IL-6), thereby attenuating neuroinflammatory responses. These findings provide a phytochemical basis for further development and utilization of <em>P. scandens</em> as a natural source of potential anti-neuroinflammatory agents.</div></div>","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":"238 ","pages":"Article 114579"},"PeriodicalIF":3.2,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144263939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Reverse chemical ecology to study the defense of the plant host Sextonia rubra and the chemical mediators of its endophyte Fusarium falciforme against phytopathogen Trametes versicolor","authors":"Marceau Levasseur ,&nbsp;Alice Trac ,&nbsp;Isabelle Clavereau ,&nbsp;Flavien Zannini ,&nbsp;Yannick Estevez ,&nbsp;Nadine Amusant ,&nbsp;Éric Gelhaye ,&nbsp;Nicolas Pollet ,&nbsp;Emeline Houël ,&nbsp;David Touboul ,&nbsp;Véronique Eparvier","doi":"10.1016/j.phytochem.2025.114577","DOIUrl":"10.1016/j.phytochem.2025.114577","url":null,"abstract":"<div><div><em>Sextonia rubra</em> is a tropical tree endemic to the Guiana Shield and the Brazilian Amazon. Despite its renowned wood durability, it remains susceptible to degradation by white-rot fungi such as <em>Trametes versicolor</em>. To mitigate biotic stresses, plants can rely on their associated microbial communities, including endophytes, which play a crucial role in their defense mechanisms. In this study, we explored the cultivable microbiota of <em>S. rubra</em>, considering it a holobiont.</div><div>Endophytic strains were isolated from the bark, sapwood and heartwood of <em>S. rubra</em>, and metabolome were extracted. We used a reverse chemical ecology approach to elucidate the mechanisms underlying these extracts' fungicidal activity. In this context, glutathione-S-transferases (GST), key detoxification enzymes of the lignivorous fungus <em>T. versicolor</em>, were chosen as targets. GST tests confirmed the presence of antifungal compounds in extracts from 13 of the 152 endophytes. Two isolates of <em>Fusarium falciforme</em> and one isolate of <em>Fusarium graminearum</em> were selected for co-culture experiments with <em>T. versicolor</em>.</div><div>A comprehensive metabolic analysis of the confrontation zones using RPLC-ESI(+)-HRMS/MS and molecular networking revealed that the antifungal activity against <em>T. versicolor</em> was primarily mediated by cyclopeptides, and the observed contact inhibition was attributed to fusarins. These findings shed new light on the role of endophytic fungi in the chemical defense strategies of <em>S. rubra</em>, highlighting their potential as a source of bioactive compounds with antifungal properties.</div></div>","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":"238 ","pages":"Article 114577"},"PeriodicalIF":3.2,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144272054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient NMR spectroscopy approach for the determination of the relative configuration of Δ5,6Δ11,12-jatrophane diterpenes and their chemotherapy sensitization activities","authors":"Wenjing Tian ,&nbsp;Jie Li ,&nbsp;Mi Zhou ,&nbsp;Yanlan Yang ,&nbsp;Yingting Lin ,&nbsp;Guanghui Wang ,&nbsp;Zhiping Zeng ,&nbsp;Yuting Bian ,&nbsp;Cuiling Sun ,&nbsp;Rong Ding ,&nbsp;Haifeng Chen","doi":"10.1016/j.phytochem.2025.114575","DOIUrl":"10.1016/j.phytochem.2025.114575","url":null,"abstract":"<div><div>Jatrophane diterpenes, a class of natural products exclusively found in the Euphorbiaceae family, are characterized by their distinctive <em>trans</em>-bicyclo[10.3.0]pentadecane scaffold. The relative configurations of jatrophane diterpenes are challenging to be determined solely based on the NOESY spectra due to the high flexibility and variable conformers of the 5/12-fused ring core. Phytochemical investigation of <em>Euphorbia helioscopia</em> L. led to the isolation of 36 macrocyclic diterpenes, including 34 jatrophane-type compounds (<strong>1</strong>–<strong>34</strong>). Notably, <strong>1</strong> was characterized as an undescribed compound and the NMR data of <strong>2</strong>–<strong>9</strong> were supplemented. In addition, the X-ray crystallographic structures of <strong>2</strong>, <strong>3</strong> and <strong>9</strong> were successfully determined, providing unambiguously confirmation of their configuration. The present study categorized the isolated and literature-reported Δ^5,6Δ^11,12<strong>-</strong>jatrophane diterpenes into 10 structural types and summarized their NMR patterns. Based on this classification, an efficient NMR spectroscopic strategy for determining the relative configurations of Δ^5,6Δ^11,12<strong>-</strong>jatrophane diterpenes was developed. The inhibition of CHK1 phosphorylation enhances the sensitivity of tumor cells to chemotherapy drugs through blocking the cell cycle checkpoints. All the isolates were investigated for their inhibitory effects against camptothecin (CPT) -induced phosphorylation of CHK1 by the Western blotting assay. Moreover, a preliminary structure–activity relationship study of the isolates was conducted. Further mechanistic studies revealed that <strong>23</strong> enhanced the chemosensitivity of MCF-7 cells to CPT by inhibiting CHK1 and Wee1 phosphorylation and inducing PARP cleavage. The present study provided a new insight into jatrophane diterpenes as chemosensitizer agents.</div></div>","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":"238 ","pages":"Article 114575"},"PeriodicalIF":3.2,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144264055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Flavanol-hydroxytyrosol hybrids and diterpenoids with anti-neuroinflammatory activity by regulating the expressions of NF-κB and IL-1β in vitro from Tripterygium hypoglaucum rhizomes","authors":"Zhiqi Lin ,&nbsp;Wenhao Qiao ,&nbsp;Ji Wang ,&nbsp;Tang Zhou ,&nbsp;Luli Shi ,&nbsp;Qichao Qian ,&nbsp;Weiyan Hu ,&nbsp;Rongping Zhang ,&nbsp;Xinglong Chen","doi":"10.1016/j.phytochem.2025.114566","DOIUrl":"10.1016/j.phytochem.2025.114566","url":null,"abstract":"<div><div>The study aimed to identify the anti-neuroinflammatory compounds present in the rhizomes of <em>Tripterygium hypoglaucum</em> (Levl.) Hutch while simultaneously elucidating their mechanisms of action against neuroinflammation <em>in vitro</em>. Seven previously undescribed compounds, including a pair of flavanol-hydroxytyrosol hybrids (<strong>1</strong>–<strong>2</strong>) and three diterpenoids (<strong>5</strong>–<strong>7</strong>), were isolated from <em>T</em>. <em>hypoglaucum</em> rhizomes through sequential chromatographic methods under the guidance of LC-MS analyses. Their structures were determined by HRESIMS, NMR spectroscopic analysis combined with quantum-chemical ECD calculations. The anti-neuroinflammation activities of the isolates on LPS-induced BV-2 cells were evaluated that compounds <strong>1</strong>–<strong>7</strong> notably suppressed NO production to demonstrate anti-neuroinflammatory effects. Compounds <strong>1</strong>–<strong>4</strong> attenuated the expression of phosphorylated NF-<em>κ</em>B, thereby mitigating NF-κB activation, whereas compounds <strong>5</strong>–<strong>7</strong> inhibited IL-1<em>β</em> expression to exhibit anti-neuroinflammatory activity. Compound <strong>5</strong> further inhibited the generation of inflammatory factors IL-6, IL-10, and COX-2. The results of molecular docking complemented the <em>in vitro</em> findings related to anti-neuroinflammation, demonstrating that all compounds exhibited strong binding affinity to the associated targets, characterized by high energy values, as well as favorable composite Log P values, NHBD, and NHBR. Collectively, these structurally diverse compounds expand the repertoire of candidate molecules for the development of drugs aimed at treating neurodegenerative diseases.</div></div>","PeriodicalId":20170,"journal":{"name":"Phytochemistry","volume":"238 ","pages":"Article 114566"},"PeriodicalIF":3.2,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148069","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}