Pub Date : 2026-01-21DOI: 10.1016/j.fitote.2026.107105
Lin Liu , Yinhui Zhou , Shu-Ming Li , Hanli Ruan
Five new austalide meroterpenoids, named auslactones A − E (1–5), one new natural product (6), together with ten known analogues (7–16), were isolated from the fungus Aspergillus ustus NRRL 275. Auslactones A − B (1–2) represent a class of austalides containing 5/6/6/6/6/5 hexacyclic ring with a hydroxymethyl group at C-15. Auslactones C − D (3–4) enrich the type of 5/6/6/6/5/6/5 heptacyclic austalides. Auslactone E (5) contains 5/6/6/6 tetracyclic ring system. Meanwhile, the NMR data of auslactone F (6) were reported for the first time. Their structures were elucidated by extensive spectroscopic analysis. The absolute configuration of compound 1 was established by single-crystal X-ray diffraction, whereas those for the others were established by circular dichroism (CD) data analysis. No cytotoxic or immunosuppressive activity was found for compounds 1–6.
从真菌Aspergillus usstus NRRL 275中分离得到5个新的austalide meroterpenoids，命名为auslactones A - E(1-5)， 1个新的天然产物(6)和10个已知的类似物（7-16）。ausallactones A - B（1-2）代表了一类含有5/6/6/6/ 5六环并在C-15上有一个羟基甲基的austalides。Auslactones C - D（3-4）丰富了5/6/6/6/5/6/5七环austalides的类型。奥内酯E(5)含有5/6/6/6四环环体系。同时，首次报道了auslactone F(6)的NMR数据。它们的结构通过广泛的光谱分析得以阐明。化合物1的绝对构型由单晶x射线衍射确定，其余化合物的绝对构型由圆二色性（CD）数据分析确定。化合物1 ~ 6无细胞毒性或免疫抑制活性。
{"title":"Auslactones A−E, austalide meroterpenoids from Aspergillus ustus NRRL 275","authors":"Lin Liu , Yinhui Zhou , Shu-Ming Li , Hanli Ruan","doi":"10.1016/j.fitote.2026.107105","DOIUrl":"10.1016/j.fitote.2026.107105","url":null,"abstract":"<div><div>Five new austalide meroterpenoids, named auslactones A − E (<strong>1</strong>–<strong>5</strong>), one new natural product (<strong>6</strong>), together with ten known analogues (<strong>7</strong>–<strong>16</strong>), were isolated from the fungus <em>Aspergillus ustus</em> NRRL 275. Auslactones A − B (<strong>1</strong>–<strong>2</strong>) represent a class of austalides containing 5/6/6/6/6/5 hexacyclic ring with a hydroxymethyl group at C-15. Auslactones C − D (<strong>3</strong>–<strong>4</strong>) enrich the type of 5/6/6/6/5/6/5 heptacyclic austalides. Auslactone E (<strong>5</strong>) contains 5/6/6/6 tetracyclic ring system. Meanwhile, the NMR data of auslactone F (<strong>6</strong>) were reported for the first time. Their structures were elucidated by extensive spectroscopic analysis. The absolute configuration of compound <strong>1</strong> was established by single-crystal X-ray diffraction, whereas those for the others were established by circular dichroism (CD) data analysis. No cytotoxic or immunosuppressive activity was found for compounds <strong>1</strong>–<strong>6</strong>.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"189 ","pages":"Article 107105"},"PeriodicalIF":2.6,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146040777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-20DOI: 10.1016/j.fitote.2026.107094
Cleiane Dias Lima , Marcelo da Costa Mota , Raimundo Leilton Santos Sousa , Luma Brisa Pereira dos Santos , Paulo Sérgio de Araujo Sousa , Raiza Raianne Luz Rodrigues , Klinger Antônio da Franca Rodrigues , Md Shimul Bhuia , Muhammad Torequl Islam , Alyne Rodrigues de Araújo-Nobre , Cláudia Quintino da Rocha , Jefferson Almeida Rocha
Leishmaniasis is a neglected tropical disease that affects millions of people worldwide, and current treatments are limited by toxicity and increasing parasite resistance, highlighting the need for new therapeutic agents. Montrichardia linifera, a plant used in traditional medicine, has shown relevant antiparasitic potential. This study evaluated the antileishmanial activity of acetone (EAMl), ethyl acetate (EAEMl), and ethanolic (EEMl) extracts of M. linifera. Chemical characterization was performed by liquid chromatography–mass spectrometry (LC–MS), and complementary in silico ADME/Tox predictions and molecular docking analyses were conducted. Antileishmanial activity was assessed against Leishmania (L.) major promastigotes using the MTT assay, and ultrastructural alterations were analyzed by atomic force microscopy (AFM). LC–MS results showed that EAEMl was the most chemically diverse extract, with quercetin identified as a major constituent. EAEMl exhibited the highest antipromastigote activity, with an IC₅₀ value of 20.30 μg/mL. AFM analysis revealed severe morphological damage in treated parasites, including membrane disruption and cell retraction. In silico analyses indicated favorable pharmacokinetic profiles for the main compounds. Molecular docking identified corilagin as the compound with the strongest affinity for pteridine reductase 1 (PTR1; PDB ID: 1E7W), with a binding energy of –10.9 kcal/mol. Overall, these findings demonstrate that M. linifera extracts, particularly those rich in phenolic compounds, exhibit promising antileishmanial activity, supporting their potential as sources of new therapeutic candidates.
{"title":"Potential of ethyl acetate and acetone extracts from Montrichardia linifera leaves: Chemical characterization, in vitro study, molecular docking ad ADME-TOX","authors":"Cleiane Dias Lima , Marcelo da Costa Mota , Raimundo Leilton Santos Sousa , Luma Brisa Pereira dos Santos , Paulo Sérgio de Araujo Sousa , Raiza Raianne Luz Rodrigues , Klinger Antônio da Franca Rodrigues , Md Shimul Bhuia , Muhammad Torequl Islam , Alyne Rodrigues de Araújo-Nobre , Cláudia Quintino da Rocha , Jefferson Almeida Rocha","doi":"10.1016/j.fitote.2026.107094","DOIUrl":"10.1016/j.fitote.2026.107094","url":null,"abstract":"<div><div>Leishmaniasis is a neglected tropical disease that affects millions of people worldwide, and current treatments are limited by toxicity and increasing parasite resistance, highlighting the need for new therapeutic agents. <em>Montrichardia linifera</em>, a plant used in traditional medicine, has shown relevant antiparasitic potential. This study evaluated the antileishmanial activity of acetone (EAMl), ethyl acetate (EAEMl), and ethanolic (EEMl) extracts of <em>M. linifera</em>. Chemical characterization was performed by liquid chromatography–mass spectrometry (LC–MS), and complementary in silico ADME/Tox predictions and molecular docking analyses were conducted. Antileishmanial activity was assessed against Leishmania (L.) major promastigotes using the MTT assay, and ultrastructural alterations were analyzed by atomic force microscopy (AFM). LC–MS results showed that EAEMl was the most chemically diverse extract, with quercetin identified as a major constituent. EAEMl exhibited the highest antipromastigote activity, with an IC₅₀ value of 20.30 μg/mL. AFM analysis revealed severe morphological damage in treated parasites, including membrane disruption and cell retraction. In silico analyses indicated favorable pharmacokinetic profiles for the main compounds. Molecular docking identified corilagin as the compound with the strongest affinity for pteridine reductase 1 (PTR1; PDB ID: <span><span>1E7W</span><svg><path></path></svg></span>), with a binding energy of –10.9 kcal/mol. Overall, these findings demonstrate that <em>M. linifera</em> extracts, particularly those rich in phenolic compounds, exhibit promising antileishmanial activity, supporting their potential as sources of new therapeutic candidates.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"189 ","pages":"Article 107094"},"PeriodicalIF":2.6,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-20DOI: 10.1016/j.fitote.2026.107104
Shaymaa Ahmed Gouda , E.A. Gamal , Hanaa Mohamed Gouda , Ahmed A.M.A. Selim
The emergence of microbial resistance to antimicrobial agents emphasizes the need to discover new ones. The potential use of endophytic fungi as a source of antimicrobial agents and their mode of action has not been fully explored. Thus, this research aimed to evaluate the antimicrobial activity of 16 endophytic fungal species isolated from some plants collected from Wadi Hagul, Egypt, along with assessing the mechanism of action of the most active one. Alternaria E15 was the most effective fungus against S. aureus with an MIC of 321.5 μgmL−1, E. coli, A. niger with MICs of 1250 μgmL−1, and C. albicans with an MIC of 2500 μgmL−1. It was identified morphologically and molecularly as Alternaria alternata (accession no. PX106371). Sorbitol protection and ergosterol-binding assays indicated that its ethyl acetate extract does not target the fungal cell wall but acts through direct ergosterol binding in the fungal membrane. LC/MS analysis of A. alternata extract revealed seventeen major compounds belonging to different antimicrobial chemical classes. The docking studies on CYP51 and Penicillin-Binding Protein 3 showed that Okanin4-(6-acetylglucoside) and alternariol (docking scores −11.957 and − 7.009, respectively) may inhibit fungal ergosterol biosynthesis, while Okanin4-(6-acetylglucoside) and altenusin may inhibit bacterial cell wall synthesis (docking scores −8.537 and − 8.019, respectively). This study highlights, for the first time to our knowledge, the investigation of Egyptian endophytic fungi isolated from certain plants as a potential source for antimicrobial products, with an understanding of the responsible compounds and their mechanisms supporting their potential use in developing novel medicinal applications.
{"title":"Bioprospecting of endophytic fungi from medicinal plants as a source of antimicrobial agents: In vitro evaluation, metabolite profiling, and docking-based elucidation","authors":"Shaymaa Ahmed Gouda , E.A. Gamal , Hanaa Mohamed Gouda , Ahmed A.M.A. Selim","doi":"10.1016/j.fitote.2026.107104","DOIUrl":"10.1016/j.fitote.2026.107104","url":null,"abstract":"<div><div>The emergence of microbial resistance to antimicrobial agents emphasizes the need to discover new ones. The potential use of endophytic fungi as a source of antimicrobial agents and their mode of action has not been fully explored. Thus, this research aimed to evaluate the antimicrobial activity of 16 endophytic fungal species isolated from some plants collected from Wadi Hagul, Egypt, along with assessing the mechanism of action of the most active one. <em>Alternaria</em> E15 was the most effective fungus against <em>S. aureus</em> with an MIC of 321.5 μgmL<sup>−1</sup>, <em>E. coli</em>, <em>A. niger</em> with MICs of 1250 μgmL<sup>−1</sup>, and <em>C. albicans</em> with an MIC of 2500 μgmL<sup>−1</sup>. It was identified morphologically and molecularly as <em>Alternaria alternata</em> (accession no. PX106371). Sorbitol protection and ergosterol-binding assays indicated that its ethyl acetate extract does not target the fungal cell wall but acts through direct ergosterol binding in the fungal membrane. LC/MS analysis of <em>A. alternata</em> extract revealed seventeen major compounds belonging to different antimicrobial chemical classes. The docking studies on CYP51 and Penicillin-Binding Protein 3 showed that Okanin4-(6-acetylglucoside) and alternariol (docking scores −11.957 and − 7.009, respectively) may inhibit fungal ergosterol biosynthesis, while Okanin4-(6-acetylglucoside) and altenusin may inhibit bacterial cell wall synthesis (docking scores −8.537 and − 8.019, respectively). This study highlights, for the first time to our knowledge, the investigation of Egyptian endophytic fungi isolated from certain plants as a potential source for antimicrobial products, with an understanding of the responsible compounds and their mechanisms supporting their potential use in developing novel medicinal applications.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"189 ","pages":"Article 107104"},"PeriodicalIF":2.6,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023302","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-19DOI: 10.1016/j.fitote.2026.107102
Xiaojing Wei , Binjing Zhao , Xinyi Jiang , Lunli Lan , Rui Wang , Yuanyuan Li
Vladimiria souliei(Franch.)Ling is used as medicine with dried roots, which is a perennial herb in Asteraceae family. It has been generally applied as traditional Chinese medicine with relieving abdominal swelling or pain, and treatment of digestive system disease. However, the pharmacological mechanism of alleviating gastric ulcer (GU) for this herb were still unknown. UPLC-Q-TOF/MS was performed to analyze the main components of Vladimiria souliei extract (VSE). Based on the results of histopathological observation, cytokines assay, and immunohistochemistry staining, the therapeutic effect of VSE on ethanol-induced GU was appraised. Meanwhile, the CCK-8, LDH assay and crystal violet staining were assessed to evaluate the appropriate concentration of VSE in vitro. In GES-1 cells induced by ethanol, the cell viability, ROS and cell membrane damage assay were detected after the interference of VSE. Then, several pivotal proteins relating to necroptosis in GES-1 were evaluated through immunofluorescence staining to illustrate the further pharma-cological mechanisms. As a result, VSE significantly restrained the expansion of ulcer area, reduced the pepsin activity, restored the levels of SOD, decreased the levels of MDA, ROS, TNF-α, IL-1β, IL-6, and IL-18, ultimately ameliorated the gastric mucosa injury. Further analysis exhibited that VSE significantly inhibited the cellular necroptosis by down-regulating the levels of RIP1, RIP3 and MLKL. Conclusions: This research clarified that the VSE could improve gastric mucosal injury through inhibition of RIP1-RIP3-MLKL necrosome activation, which might provide scientific evidences on the application of Vladimiria souliei as a ethnic herb to ameliorate GU.
{"title":"Vladimiria souliei alleviated ethanol induced gastric ulcer through inhibition of RIP1-RIP3-MLKL necrosome activation","authors":"Xiaojing Wei , Binjing Zhao , Xinyi Jiang , Lunli Lan , Rui Wang , Yuanyuan Li","doi":"10.1016/j.fitote.2026.107102","DOIUrl":"10.1016/j.fitote.2026.107102","url":null,"abstract":"<div><div><em>Vladimiria souliei(Franch.)Ling</em> is used as medicine with dried roots, which is a perennial herb in Asteraceae family. It has been generally applied as traditional Chinese medicine with relieving abdominal swelling or pain, and treatment of digestive system disease. However, the pharmacological mechanism of alleviating gastric ulcer (GU) for this herb were still unknown. UPLC-Q-TOF/MS was performed to analyze the main components of <em>Vladimiria souliei</em> extract (VSE). Based on the results of histopathological observation, cytokines assay, and immunohistochemistry staining, the therapeutic effect of VSE on ethanol-induced GU was appraised. Meanwhile, the CCK-8, LDH assay and crystal violet staining were assessed to evaluate the appropriate concentration of VSE <em>in vitro.</em> In GES-1 cells induced by ethanol, the cell viability, ROS and cell membrane damage assay were detected after the interference of VSE. Then, several pivotal proteins relating to necroptosis in GES-1 were evaluated through immunofluorescence staining to illustrate the further pharma-cological mechanisms. As a result, VSE significantly restrained the expansion of ulcer area, reduced the pepsin activity, restored the levels of SOD, decreased the levels of MDA, ROS, TNF-α, IL-1β, IL-6, and IL-18, ultimately ameliorated the gastric mucosa injury. Further analysis exhibited that VSE significantly inhibited the cellular necroptosis by down-regulating the levels of RIP1, RIP3 and MLKL. Conclusions: This research clarified that the VSE could improve gastric mucosal injury through inhibition of RIP1-RIP3-MLKL necrosome activation, which might provide scientific evidences on the application of <em>Vladimiria souliei</em> as a ethnic herb to ameliorate GU.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"189 ","pages":"Article 107102"},"PeriodicalIF":2.6,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146017933","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-19DOI: 10.1016/j.fitote.2026.107101
Giselle Hernández , Luis A. Osoria , Beatriz Ramos , Trina H. García , Yarelis Ortiz , Yamilet Coll , Angel D. Vizcaino , Melissa R. Dupuig , Rafael F. Castañeda , Jared S. Goldman , Iraida Spengler , Antonio Francioso
The genus Cladobotryum is known for causing cobweb disease in edible mushroom crops. Its parasitic nature has prompted interest in its biocontrol potential and ability to produce cytotoxic compounds. The aim of this study was to identify secondary metabolites in a metahnolic extract of Cladobotryum virescens G.R.W. Arnold, and to evaluate its cytotoxicity against four cancer cell lines and its mutagenic effect in vitro. The chemical identification of metabolites was conducted using ultra-high performance liquid chromatography electrospray ionization-tandem mass spectrometry (UHPLC-ESI-MS/MS) in negative ionization mode. Cytotoxicity was assessed via MTT assay on MCF-7, MDA-MB-231 (both breast cancer), H460 (lung cancer), and L1210 (murine lymphocytic leukemia line) cell lines. A bacterial reversion test using Salmonella typhimurium strains TA98 and TA100 (Ames' test) was carried out to evaluate mutagenicity. UHPLC-ESI-MS/MS analysis allowed us to tentatively identify a total of 13 compounds in the extract, including polyketides, anthraquinones, and polyphenols mainly glycosylated flavonoids, among others. The methanolic extract of C. virescens showed significant dose-dependent cytotoxic against various cancer cell lines (IC50 = 5.02, 50.15, 12.05 μg/mL for MCF-7, MDA-MB-231, and L1210, respectively) and remarkable primary mutagenic potential. These findings highlight the bioactive potential of C. virescens as a promising source of secondary metabolites for cancer treatment. Particularly, antioxidants may play a role in their cytotoxic effect and support further exploration of Cladobotryum species as a source of biologically active compounds.
{"title":"Identification of secondary metabolites in polar organic extract of the fungus Cladobotryum virescens (Hypocreaceae, Ascomycota) by UHPLC-ESI-MS/MS: Cytotoxic and mutagenic activity","authors":"Giselle Hernández , Luis A. Osoria , Beatriz Ramos , Trina H. García , Yarelis Ortiz , Yamilet Coll , Angel D. Vizcaino , Melissa R. Dupuig , Rafael F. Castañeda , Jared S. Goldman , Iraida Spengler , Antonio Francioso","doi":"10.1016/j.fitote.2026.107101","DOIUrl":"10.1016/j.fitote.2026.107101","url":null,"abstract":"<div><div>The genus <em>Cladobotryum</em> is known for causing cobweb disease in edible mushroom crops. Its parasitic nature has prompted interest in its biocontrol potential and ability to produce cytotoxic compounds. The aim of this study was to identify secondary metabolites in a metahnolic extract of <em>Cladobotryum virescens</em> G.R.W. Arnold, and to evaluate its cytotoxicity against four cancer cell lines and its mutagenic effect in vitro. The chemical identification of metabolites was conducted using ultra-high performance liquid chromatography electrospray ionization-tandem mass spectrometry (UHPLC-ESI-MS/MS) in negative ionization mode. Cytotoxicity was assessed via MTT assay on MCF-7, MDA-MB-231 (both breast cancer), H460 (lung cancer), and L1210 (murine lymphocytic leukemia line) cell lines. A bacterial reversion test using <em>Salmonella typhimurium</em> strains TA98 and TA100 (Ames' test) was carried out to evaluate mutagenicity. UHPLC-ESI-MS/MS analysis allowed us to tentatively identify a total of 13 compounds in the extract, including polyketides, anthraquinones, and polyphenols mainly glycosylated flavonoids, among others. The methanolic extract of <em>C. virescens</em> showed significant dose-dependent cytotoxic against various cancer cell lines (IC<sub>50</sub> = 5.02, 50.15, 12.05 μg/mL for MCF-7, MDA-MB-231, and L1210, respectively) and remarkable primary mutagenic potential. These findings highlight the bioactive potential of <em>C. virescens</em> as a promising source of secondary metabolites for cancer treatment. Particularly, antioxidants may play a role in their cytotoxic effect and support further exploration of <em>Cladobotryum</em> species as a source of biologically active compounds.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"189 ","pages":"Article 107101"},"PeriodicalIF":2.6,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146017939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-19DOI: 10.1016/j.fitote.2026.107097
Yan-Fei Xu , Yun-Jie Wang , Zhuo-Tao Li , Li-Yuan Shi , Qia Wang , Ning-Hua Tan , Xue-Jia Zhang , Li Feng , Zhe Wang
Rubia plants, well-recognized as medicinal resources, are characterized by diverse phytoconstituents and a broad spectrum of biological activities, and have traditionally been employed in managing various diseases. R. manjith, a representative species of the genus Rubia enriched with quinone derivatives, has long been used in traditional Chinese medicine for the treatment of hematemesis, hematuria, inflammation, ulcers, and dermatological disorders. However, up to now, no research on the chemical components of this plant has been carried out. The present study focuses on the quinone constituents of R. manjith with the aim of identifying potential anti-tumor agents. From the roots and rhizomes of R. manjith, four previously undescribed anthraquinones (1–4), together with thirty-one known quinones (5–35), were successfully isolated and identified. Their cytotoxic activities were assessed against several colorectal cancer cell lines, among which 6 exhibited pronounced antiproliferative effects. Furthermore, network pharmacology analysis in combined with molecular docking was employed to elucidate the potential mechanisms underlying the anti-tumor activity of 6.
{"title":"Quinones from Rubia manjith and their antitumor activity","authors":"Yan-Fei Xu , Yun-Jie Wang , Zhuo-Tao Li , Li-Yuan Shi , Qia Wang , Ning-Hua Tan , Xue-Jia Zhang , Li Feng , Zhe Wang","doi":"10.1016/j.fitote.2026.107097","DOIUrl":"10.1016/j.fitote.2026.107097","url":null,"abstract":"<div><div><em>Rubia</em> plants, well-recognized as medicinal resources, are characterized by diverse phytoconstituents and a broad spectrum of biological activities, and have traditionally been employed in managing various diseases. <em>R. manjith</em>, a representative species of the genus <em>Rubia</em> enriched with quinone derivatives, has long been used in traditional Chinese medicine for the treatment of hematemesis, hematuria, inflammation, ulcers, and dermatological disorders. However, up to now, no research on the chemical components of this plant has been carried out. The present study focuses on the quinone constituents of <em>R. manjith</em> with the aim of identifying potential anti-tumor agents. From the roots and rhizomes of <em>R. manjith</em>, four previously undescribed anthraquinones (<strong>1</strong>–<strong>4</strong>), together with thirty-one known quinones (<strong>5</strong>–<strong>35</strong>), were successfully isolated and identified. Their cytotoxic activities were assessed against several colorectal cancer cell lines, among which <strong>6</strong> exhibited pronounced antiproliferative effects. Furthermore, network pharmacology analysis in combined with molecular docking was employed to elucidate the potential mechanisms underlying the anti-tumor activity of <strong>6</strong>.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"189 ","pages":"Article 107097"},"PeriodicalIF":2.6,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146017995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-19DOI: 10.1016/j.fitote.2026.107103
Dionysia Alvanou , Ekaterina-Michaela Tomou , Maria Anagnostou , Christina Barda , Anastasia-Ioanna Papantonaki , Ioannis Sfiniadakis , Jane Anastassopoulou , Andreas Tzakos , Michail Rallis , Helen Skaltsa
Cistus species have been used in the treatment of various ailments, including skin disorders in the traditional medicine. The present study aimed to evaluate the antipsoriatic potential of Cistus sintenisii extracts, using an imiquimod-induced psoriasis mouse model. The most promising effects were observed in the highest concentrations of the extracts, which attenuated psoriatic alterations, such as hyperplasia of the epidermis and inflammation and improved epidermal structure. Furthermore, reduction of approximately 50% in the Psoriasis Area and Severity Index (PASI) score on day 6 indicated a favorable clinical response along with the histological outcomes. In addition, the chemical composition of the aqueous extract was studied, and nine compounds were isolated and identified, namely catechin, quercetin 3-O-α-L-rhamnoside, myricetin 3-O-α-L-rhamnoside, myricetin 3-O-α-L-arabinoside, myricetin 3-O-β-D-galactoside, gallic acid, shikimic acid, protocatechuic acid, and gentisic acid 5-O-β-D-xyloside. These findings may play a key role in the therapeutic potency of C. sintenisii against psoriasis, as well as support the traditional use of Cistus species in treating skin disorders.
山竹属植物已被用于治疗各种疾病，包括传统医学中的皮肤病。本研究旨在利用吡喹莫德诱导的银屑病小鼠模型，评价山竹提取物的抗银屑病潜力。在最高浓度的提取物中观察到最有希望的效果，它可以减轻银屑病的改变，如表皮增生和炎症，并改善表皮结构。此外，在第6天，银屑病面积和严重程度指数（PASI）评分减少了约50%，表明临床反应良好，组织学结果良好。此外，对水提物的化学成分进行了研究，分离鉴定出儿茶素、槲皮素3-O-α- l -鼠李糖、杨梅素3-O-α- l -鼠李糖、杨梅素3-O-α- l -阿拉伯糖、杨梅素3-O-β- d -半乳糖苷、没食子酸、草酸、原儿茶酸、龙胆酸5-O-β- d -木糖苷等9个化合物。这些发现可能在银屑病的治疗效力中发挥关键作用，并支持传统使用山竹属治疗皮肤病。
{"title":"Chemical composition and evaluation of the antipsoriatic potential of Cistus sintenisii in mouse model","authors":"Dionysia Alvanou , Ekaterina-Michaela Tomou , Maria Anagnostou , Christina Barda , Anastasia-Ioanna Papantonaki , Ioannis Sfiniadakis , Jane Anastassopoulou , Andreas Tzakos , Michail Rallis , Helen Skaltsa","doi":"10.1016/j.fitote.2026.107103","DOIUrl":"10.1016/j.fitote.2026.107103","url":null,"abstract":"<div><div><em>Cistus</em> species have been used in the treatment of various ailments, including skin disorders in the traditional medicine. The present study aimed to evaluate the antipsoriatic potential of <em>Cistus sintenisii</em> extracts, using an imiquimod-induced psoriasis mouse model. The most promising effects were observed in the highest concentrations of the extracts, which attenuated psoriatic alterations, such as hyperplasia of the epidermis and inflammation and improved epidermal structure. Furthermore, reduction of approximately 50% in the Psoriasis Area and Severity Index (PASI) score on day 6 indicated a favorable clinical response along with the histological outcomes. In addition, the chemical composition of the aqueous extract was studied, and nine compounds were isolated and identified, namely catechin, quercetin 3-O-α-L-rhamnoside, myricetin 3-O-α-L-rhamnoside, myricetin 3-O-α-L-arabinoside, myricetin 3-O-β-D-galactoside, gallic acid, shikimic acid, protocatechuic acid, and gentisic acid 5-O-β-D-xyloside. These findings may play a key role in the therapeutic potency of <em>C. sintenisii</em> against psoriasis, as well as support the traditional use of <em>Cistus</em> species in treating skin disorders.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"189 ","pages":"Article 107103"},"PeriodicalIF":2.6,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146017802","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-19DOI: 10.1016/j.fitote.2026.107100
Cecilia I. Mayo-Montor , Juan F. Avellaneda-Tamayo , Abraham Vidal-Limon , Oscar Carmona-Hernández , José Martín Barreda-Castillo , Víctor Manuel Loyola-Vargas , José L. Medina-Franco , Juan L. Monribot-Villanueva , José A. Guerrero-Analco
The Mexican cloud forest harbors an exceptional diversity of vascular plants, most of which remain unexplored. Sida hyssopifolia C.Presl (Malvaceae) is reported for the first time in this ecosystem and was chemically characterized in this study. S. hyssopifolia methanolic extract showed in vitro inhibitory activity to α-amylase (αA, IC50 = 0.02 mg/mL), α-glucosidase (αG, IC50 < 1 × 10−6 mg/mL), and dipeptidyl peptidase-IV (DPP-IV, IC50 = 0.92 mg/mL), and low acute toxicity in the Artemia salina test (LC50 = 1.33 mg/mL). Using UPLC-MS/MS-based untargeted metabolomics, 550 metabolites were putatively annotated (MSI-levels 2–4). Paired comparisons between S. hyssopifolia vs. S. glabra and S. hyssopifolia vs. S. rhombifolia allowed the identification of 54 metabolites as exclusively accumulated in S. hyssopifolia (fold change ≥2; P ≤ 0.05). In addition, 18 metabolites were determined by OPLS-DA as the most important compounds in S. hyssopifolia compared to the related species (VIP-scores >1). The Bemis-Murcko scaffold analysis revealed potential enrichment in flavonoid glycosides and triterpene-related metabolites. Additionally, by UPLC-MS/MS-based targeted metabolomics it was confirmed the differential accumulation of 19 phenolic compounds (MSI-level 1). Furthermore, 13 accumulated compounds of S. hyssopifolia (MSI-levels 1–2, fold change ≥2, P ≤ 0.05) stood out since have been reported as αA, αG, and/or DPP-IV in vitro inhibitors. Integration of metabolomics and cheminformatics suggested S. hyssopifolia as a potential source of multi-target antidiabetic natural products. These findings provide insights into its chemotaxonomic character and underscore the significance of the Mexican cloud forest as a potential source of biologically active plants.
{"title":"Metabolomic and cheminformatic study of Sida hyssopifolia: A first record of potential multi-target antidiabetic compounds and chemotaxonomic comparison with Sida glabra and Sida rhombifolia","authors":"Cecilia I. Mayo-Montor , Juan F. Avellaneda-Tamayo , Abraham Vidal-Limon , Oscar Carmona-Hernández , José Martín Barreda-Castillo , Víctor Manuel Loyola-Vargas , José L. Medina-Franco , Juan L. Monribot-Villanueva , José A. Guerrero-Analco","doi":"10.1016/j.fitote.2026.107100","DOIUrl":"10.1016/j.fitote.2026.107100","url":null,"abstract":"<div><div>The Mexican cloud forest harbors an exceptional diversity of vascular plants, most of which remain unexplored. <em>Sida hyssopifolia</em> C.Presl (Malvaceae) is reported for the first time in this ecosystem and was chemically characterized in this study. <em>S. hyssopifolia</em> methanolic extract showed <em>in vitro</em> inhibitory activity to α-amylase (αA, IC<sub>50</sub> = 0.02 mg/mL), α-glucosidase (αG, IC<sub>50</sub> < 1 × 10<sup>−6</sup> mg/mL), and dipeptidyl peptidase-IV (DPP-IV, IC<sub>50</sub> = 0.92 mg/mL), and low acute toxicity in the <em>Artemia salina</em> test (LC<sub>50</sub> = 1.33 mg/mL). Using UPLC-MS/MS-based untargeted metabolomics, 550 metabolites were putatively annotated (MSI-levels 2–4). Paired comparisons between <em>S. hyssopifolia vs. S. glabra</em> and <em>S. hyssopifolia vs. S. rhombifolia</em> allowed the identification of 54 metabolites as exclusively accumulated in <em>S. hyssopifolia</em> (fold change ≥2; <em>P ≤</em> 0.05). In addition, 18 metabolites were determined by OPLS-DA as the most important compounds in <em>S. hyssopifolia</em> compared to the related species (VIP-scores >1). The Bemis-Murcko scaffold analysis revealed potential enrichment in flavonoid glycosides and triterpene-related metabolites. Additionally, by UPLC-MS/MS-based targeted metabolomics it was confirmed the differential accumulation of 19 phenolic compounds (MSI-level 1). Furthermore, 13 accumulated compounds of <em>S. hyssopifolia</em> (MSI-levels 1–2, fold change ≥2, <em>P ≤</em> 0.05) stood out since have been reported as αA, αG, and/or DPP-IV <em>in vitro</em> inhibitors. Integration of metabolomics and cheminformatics suggested <em>S. hyssopifolia</em> as a potential source of multi-target antidiabetic natural products. These findings provide insights into its chemotaxonomic character and underscore the significance of the Mexican cloud forest as a potential source of biologically active plants.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"189 ","pages":"Article 107100"},"PeriodicalIF":2.6,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146017963","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-18DOI: 10.1016/j.fitote.2026.107099
Pengfei Jin , Guijuan Zheng , Yimiao Chen , Xinqiao Liu , Song Hu
A novel triamino monoterpene indole alkaloid, alstotriamine A (1), a new monoterpene indole alkaloid (2), and five known analogues (3–7) were isolated from the branches and leaves of Alstonia mairei. Their structures were elucidated via extensive spectroscopic methods and quantum chemical calculations including the 13C NMR-DP4+ analysis and electronic circular dichroism (ECD) calculations. Alstotriamine A (1), possessing an unprecedented pentacyclic caged skeleton incorporating with a third nitrogen atom, represents the first example of C-3 and C-17 cyclic corynanthe alkaloid, and a plausible biosynthetic pathway was proposed. Furthermore, compounds 1, 2, 5, and 7 displayed significant inhibitory effects on the LPS-induced NO production in RAW264.7 mouse macrophages with IC50 values ranging from 4.6 to 16.2 μM, and the active compounds 2 and 5 dose-dependently decreased the levels of the pro-inflammatory cytokines TNF-α and IL-6.
{"title":"Alstotriamine A, a triamino monoterpene indole alkaloid with an unprecedented pentacyclic caged skeleton and anti-inflammatory alkaloids from Alstonia mairei","authors":"Pengfei Jin , Guijuan Zheng , Yimiao Chen , Xinqiao Liu , Song Hu","doi":"10.1016/j.fitote.2026.107099","DOIUrl":"10.1016/j.fitote.2026.107099","url":null,"abstract":"<div><div>A novel triamino monoterpene indole alkaloid, alstotriamine A (<strong>1</strong>), a new monoterpene indole alkaloid (<strong>2</strong>), and five known analogues (<strong>3</strong>–<strong>7</strong>) were isolated from the branches and leaves of <em>Alstonia mairei</em>. Their structures were elucidated <em>via</em> extensive spectroscopic methods and quantum chemical calculations including the <sup>13</sup>C NMR-DP4+ analysis and electronic circular dichroism (ECD) calculations. Alstotriamine A (<strong>1</strong>), possessing an unprecedented pentacyclic caged skeleton incorporating with a third nitrogen atom, represents the first example of C-3 and C-17 cyclic corynanthe alkaloid, and a plausible biosynthetic pathway was proposed. Furthermore, compounds <strong>1</strong>, <strong>2</strong>, <strong>5</strong>, and <strong>7</strong> displayed significant inhibitory effects on the LPS-induced NO production in RAW264.7 mouse macrophages with IC<sub>50</sub> values ranging from 4.6 to 16.2 μM, and the active compounds <strong>2</strong> and <strong>5</strong> dose-dependently decreased the levels of the pro-inflammatory cytokines TNF-<em>α</em> and IL-6.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"189 ","pages":"Article 107099"},"PeriodicalIF":2.6,"publicationDate":"2026-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146009450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-18DOI: 10.1016/j.fitote.2026.107098
Hongqing Wang , Yaru Jiao , Jianbo Liu, Junhua Sun, Zhanrong Zhou, Ruoyun Chen, Jie Kang
Nine feruloyltyramine derivatives (1, 2, 4–10) and one pyrrole (3) were isolated from 70% EtOH extract of fresh Portulaca oleracea L.. Among them, compounds 1, 2 and 4 were cyclized feruloyltyramine derivatives, the other feruloyltyramine derivatives (5–10) were non-cyclized. Compounds 1 and 2 were racemic mixtures, and were separated into enantiomers 1-a (R), 1-b (S), 2-a (R) and 2-b (S), respectively. Three compounds (1–3) were new, and their structures were elucidated by UV, IR, HRESIMS, 1D and 2D NMR, and ECD spectra, as well as optical rotations. All the compounds (1−10) were tested for their hepatoprotective activity in vitro. At a concentration of 10 μM, three cyclized feruloyltyramine derivatives (1-a, 2-a and 4) possessed significant hepatoprotective activity against the damage induced by N-acetyl-para-aminophenol (APAP) in human HepG2 liver cancer cells, with cell survival rates of 63.61, 65.44 and 65.52%. It was suggested that the cyclized feruloyltyramine derivatives with R configuration had better hepatoprotective activity than that of S configuration and non-cyclized feruloyltyramine derivatives.
{"title":"Nine feruloyltyramine derivatives and one pyrrole with hepatoprotective activity isolated from fresh Portulaca oleracea L.","authors":"Hongqing Wang , Yaru Jiao , Jianbo Liu, Junhua Sun, Zhanrong Zhou, Ruoyun Chen, Jie Kang","doi":"10.1016/j.fitote.2026.107098","DOIUrl":"10.1016/j.fitote.2026.107098","url":null,"abstract":"<div><div>Nine feruloyltyramine derivatives (<strong>1</strong>, <strong>2</strong>, <strong>4</strong>–<strong>10</strong>) and one pyrrole (<strong>3</strong>) were isolated from 70% EtOH extract of fresh <em>Portulaca oleracea</em> L.. Among them, compounds <strong>1</strong>, <strong>2</strong> and <strong>4</strong> were cyclized feruloyltyramine derivatives, the other feruloyltyramine derivatives (<strong>5</strong>–<strong>10</strong>) were non-cyclized. Compounds <strong>1</strong> and <strong>2</strong> were racemic mixtures, and were separated into enantiomers <strong>1</strong>-<strong>a</strong> (<em>R</em>), <strong>1</strong>-<strong>b</strong> (<em>S</em>), <strong>2</strong>-<strong>a</strong> (<em>R</em>) and <strong>2</strong>-<strong>b</strong> (<em>S</em>), respectively. Three compounds (<strong>1</strong>–<strong>3</strong>) were new, and their structures were elucidated by UV, IR, HRESIMS, 1D and 2D NMR, and ECD spectra, as well as optical rotations. All the compounds (<strong>1</strong>−<strong>10</strong>) were tested for their hepatoprotective activity <em>in vitro</em>. At a concentration of 10 <em>μ</em>M, three cyclized feruloyltyramine derivatives (<strong>1</strong>-<strong>a</strong>, <strong>2</strong>-<strong>a</strong> and <strong>4</strong>) possessed significant hepatoprotective activity against the damage induced by <em>N</em>-acetyl-para-aminophenol (APAP) in human HepG2 liver cancer cells, with cell survival rates of 63.61, 65.44 and 65.52%. It was suggested that the cyclized feruloyltyramine derivatives with <em>R</em> configuration had better hepatoprotective activity than that of <em>S</em> configuration and non-cyclized feruloyltyramine derivatives.</div></div>","PeriodicalId":12147,"journal":{"name":"Fitoterapia","volume":"189 ","pages":"Article 107098"},"PeriodicalIF":2.6,"publicationDate":"2026-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146009459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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