Pub Date : 2026-01-19DOI: 10.1016/j.phytol.2026.104120
Hua Guo , Quan-Ping Diao , Tao Feng , Juan He
In order to search for antibacterial agents against kiwi plant pathogen Pseudomonas syringae pv. actinidiae (Psa), a Gram-negative bacterium that causes kiwi bacterial canker, three new indole alkaloids, fusariacumines A–C (1–3), together with two known ones (5 and 6) have been isolated from a kiwi plant-associated fungus Fusarium acuminatum J207–2. Their chemical structures were determined by spectroscopic methods (1D, 2D NMR and HRESIMS). Compounds 1 and 3–5 exhibited moderate anti-Psa activity with minimum inhibitory concentration (MIC) values ranging from 32 to 128 μg/mL.
{"title":"Fusariacumines AC, indole alkaloids from Fusarium acuminatum J207-2 with antibacterial activity","authors":"Hua Guo , Quan-Ping Diao , Tao Feng , Juan He","doi":"10.1016/j.phytol.2026.104120","DOIUrl":"10.1016/j.phytol.2026.104120","url":null,"abstract":"<div><div>In order to search for antibacterial agents against kiwi plant pathogen <em>Pseudomonas syringae</em> pv. <em>actinidiae</em> (Psa), a Gram-negative bacterium that causes kiwi bacterial canker, three new indole alkaloids, fusariacumines A–C (<strong>1</strong>–<strong>3</strong>), together with two known ones (<strong>5</strong> and <strong>6</strong>) have been isolated from a kiwi plant-associated fungus <em>Fusarium acuminatum</em> J207–2. Their chemical structures were determined by spectroscopic methods (1D, 2D NMR and HRESIMS). Compounds <strong>1</strong> and <strong>3–5</strong> exhibited moderate anti-Psa activity with minimum inhibitory concentration (MIC) values ranging from 32 to 128 μg/mL.</div></div>","PeriodicalId":20408,"journal":{"name":"Phytochemistry Letters","volume":"72 ","pages":"Article 104120"},"PeriodicalIF":1.4,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146025201","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","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.phytol.2026.104121
Yan-Rong Zeng , Hong-Jin Ban , Jing-Yi Yin , Zhan Feng , Ya-Nan Li , Yan Liu , Xiao-Jiang Hao , Chun-Mao Yuan
Eight compounds, including two new menthane monoterpene derivatives (1 and 2) and six known polycyclic polyprenylated acylphloroglucinols (PPAPs, 3–8), were isolated from Hypericum monogynum. The structures of the undescribed compounds were elucidated through comprehensive spectroscopic analysis. Additionally, the cytotoxic effects of the isolated compounds on two drug-resistant cancer cell lines (HepG2/ADR and MCF-7/ADR) were evaluated by the MTT assay. Six PPAPs (3–8) displayed good inhibitory activities against HepG2/ADR and MCF-7/ADR cells, with IC50 values of 3.67–22.34 μM.
{"title":"Two new menthane monoterpene derivatives isolated from Hypericum monogynum","authors":"Yan-Rong Zeng , Hong-Jin Ban , Jing-Yi Yin , Zhan Feng , Ya-Nan Li , Yan Liu , Xiao-Jiang Hao , Chun-Mao Yuan","doi":"10.1016/j.phytol.2026.104121","DOIUrl":"10.1016/j.phytol.2026.104121","url":null,"abstract":"<div><div>Eight compounds, including two new menthane monoterpene derivatives (<strong>1</strong> and <strong>2</strong>) and six known polycyclic polyprenylated acylphloroglucinols (PPAPs, <strong>3</strong>–<strong>8</strong>), were isolated from <em>Hypericum monogynum</em>. The structures of the undescribed compounds were elucidated through comprehensive spectroscopic analysis. Additionally, the cytotoxic effects of the isolated compounds on two drug-resistant cancer cell lines (HepG2/ADR and MCF-7/ADR) were evaluated by the MTT assay. Six PPAPs (<strong>3</strong>–<strong>8</strong>) displayed good inhibitory activities against HepG2/ADR and MCF-7/ADR cells, with IC<sub>50</sub> values of 3.67–22.34 μM.</div></div>","PeriodicalId":20408,"journal":{"name":"Phytochemistry Letters","volume":"72 ","pages":"Article 104121"},"PeriodicalIF":1.4,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146025203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-17DOI: 10.1016/j.phytol.2026.104118
Kaori Ryu, Asuka Shimizu, Masashi Fukaya, Tetsuro Ito
Meroterpenoids isolated from Psidium guajava (Myrtaceae) are expected to have many physiological activities due to their diverse condensation patterns and complex stereoisomers arising from asymmetric carbons. In this study, we focused on the biosynthetic pathway and succeeded in obtaining the meroterpenoids guajadial (1), psidial A (2), and a third diastereomer (3) in a simpler and faster manner using microwave-assisted synthesis. To the best of our knowledge, this is the first report of successful microwave-assisted syntheses of these meroterpenoids. Although the overall yield was lower than that of previously reported syntheses, the present method provides a rapid and practical approach for accessing structurally diverse meroterpenoids, thereby facilitating future studies on their stereochemistry and biological activity.
{"title":"Rapid microwave-assisted synthesis of meroterpenoids from Psidium guajava","authors":"Kaori Ryu, Asuka Shimizu, Masashi Fukaya, Tetsuro Ito","doi":"10.1016/j.phytol.2026.104118","DOIUrl":"10.1016/j.phytol.2026.104118","url":null,"abstract":"<div><div>Meroterpenoids isolated from <em>Psidium guajava</em> (Myrtaceae) are expected to have many physiological activities due to their diverse condensation patterns and complex stereoisomers arising from asymmetric carbons. In this study, we focused on the biosynthetic pathway and succeeded in obtaining the meroterpenoids guajadial (<strong>1</strong>), psidial A (<strong>2</strong>), and a third diastereomer (<strong>3</strong>) in a simpler and faster manner using microwave-assisted synthesis. To the best of our knowledge, this is the first report of successful microwave-assisted syntheses of these meroterpenoids. Although the overall yield was lower than that of previously reported syntheses, the present method provides a rapid and practical approach for accessing structurally diverse meroterpenoids, thereby facilitating future studies on their stereochemistry and biological activity.</div></div>","PeriodicalId":20408,"journal":{"name":"Phytochemistry Letters","volume":"72 ","pages":"Article 104118"},"PeriodicalIF":1.4,"publicationDate":"2026-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145981517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nine novel oleanane-type triterpene glycosides (1–9) were isolated from the leaves of Pittosporum tobira (Thunb.) W. T. Aiton. Their structures were determined through comprehensive spectroscopic analyses and hydrolytic cleavage studies. Among the isolated compounds, 1, 9, and 10 showed cytotoxic activity against SBC-3 small cell lung carcinoma cells, with IC50 values of 17.7 ± 1.30, 5.3 ± 0.22, and 4.7 ± 0.64 μM, respectively. Furthermore, 10 was shown to induce ATP release in SBC-3 cells.
{"title":"Novel triterpene glycosides from the leaves of Pittosporum tobira and their cytotoxicity","authors":"Yukiko Matsuo, Misuzu Tanaka, Suzu Shokita, Yuuna Kawahara, Katsunori Miyake, Yoshihiro Mimaki","doi":"10.1016/j.phytol.2026.104116","DOIUrl":"10.1016/j.phytol.2026.104116","url":null,"abstract":"<div><div>Nine novel oleanane-type triterpene glycosides (<strong>1</strong>–<strong>9</strong>) were isolated from the leaves of <em>Pittosporum tobira</em> (Thunb.) W. T. Aiton. Their structures were determined through comprehensive spectroscopic analyses and hydrolytic cleavage studies. Among the isolated compounds, <strong>1</strong>, <strong>9</strong>, and <strong>10</strong> showed cytotoxic activity against SBC-3 small cell lung carcinoma cells, with IC<sub>50</sub> values of 17.7 ± 1.30, 5.3 ± 0.22, and 4.7 ± 0.64 μM, respectively. Furthermore, <strong>10</strong> was shown to induce ATP release in SBC-3 cells.</div></div>","PeriodicalId":20408,"journal":{"name":"Phytochemistry Letters","volume":"71 ","pages":"Article 104116"},"PeriodicalIF":1.4,"publicationDate":"2026-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145976719","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A total of four sesquiterpenoids were isolated and identified from Laggera alata. Compounds 1 and 2 were previously undescribed compounds. The absolute configuration of compounds 3 and 4 were deduced for the first time. The new compounds were characterized using HRESIMS NMR, and ECD methods. They were (2S,4 R,5S,7S)-3-methoxy-arimophane-1(10),11(13)-diene-12-acid (1) and (7S,10S)-eudesmane-4,11(13)-diene-3-one-12-acid (2). All compounds were evaluated for their anti-neuroinflammatory activities on LPS-induced BV2 cells. Compound 2 exhibited significant anti-neuroinflammatory activity at concentrations of 10, 20, and 40 μM. Only compounds 1, 3, and 4 showed anti-neuroinflammatory activity at a concentration of 40 μM. These results confirm that L. alata contains sesquiterpenoids, which demonstrate potential anti-neuroinflammatory properties, thereby establishing a pharmacological foundation for combating neuroinflammation.
{"title":"Sesquiterpenoids with anti-neuroinflammatory effects in vitro from Laggera alata","authors":"Xingxi Li, Wenhao Qiao, Qian Yang, Mingzhu Hu, Enhui Wang, Rongping Zhang, Xinglong Chen","doi":"10.1016/j.phytol.2026.104114","DOIUrl":"10.1016/j.phytol.2026.104114","url":null,"abstract":"<div><div>A total of four sesquiterpenoids were isolated and identified from <em>Laggera alata</em>. Compounds <strong>1</strong> and <strong>2</strong> were previously undescribed compounds. The absolute configuration of compounds <strong>3</strong> and <strong>4</strong> were deduced for the first time. The new compounds were characterized using HRESIMS NMR, and ECD methods. They were (2<em>S</em>,4 <em>R</em>,5<em>S</em>,7<em>S</em>)-3-methoxy-arimophane-1(10),11(13)-diene-12-acid (<strong>1</strong>) and (7<em>S</em>,10<em>S</em>)-eudesmane-4,11(13)-diene-3-one-12-acid (<strong>2</strong>). All compounds were evaluated for their anti-neuroinflammatory activities on LPS-induced BV2 cells. Compound <strong>2</strong> exhibited significant anti-neuroinflammatory activity at concentrations of 10, 20, and 40 <em>μ</em>M. Only compounds <strong>1</strong>, <strong>3</strong>, and <strong>4</strong> showed anti-neuroinflammatory activity at a concentration of 40 <em>μ</em>M. These results confirm that <em>L. alata</em> contains sesquiterpenoids, which demonstrate potential anti-neuroinflammatory properties, thereby establishing a pharmacological foundation for combating neuroinflammation.</div></div>","PeriodicalId":20408,"journal":{"name":"Phytochemistry Letters","volume":"72 ","pages":"Article 104114"},"PeriodicalIF":1.4,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145963367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-15DOI: 10.1016/j.phytol.2026.104115
Zhixia (Grace) Chen , Michael Chamberlain , Xujiang Yuan
Introduction: Alkylamides are recognized as the main active constituents of Echinacea purpurea. Owing to their lipophilic nature, they are conventionally extracted using ethanol-based solvents. Ethanol-free preparations, including Echinacea glycerites and glycetracts, have emerged as alternatives; however, their alkylamides content has not been rigorously verified and is assumed to be low. The lack of ethanol-free extracts capable of preserving alkylamides potency presents a major challenge for product development. Method: E. purpurea were subjected to ultrasonic-assisted extraction using propylene glycol (PG) as the extraction solvent. Comparative analyses were conducted with E. purpurea glycerite, glycetract and hydroethanolic extracts. Results: Organoleptic evaluation indicated that PG-based extracts retained the characteristic tingling properties observed in hydroethanolic extracts. Quantitative HPLC analysis demonstrated that glycerite and glycetract preparations contained approximately 44 % of the alkylamides concentration measured in hydroethanolic extracts. In contrast, PG-based ultrasonic extracts achieved 83 % of the alkylamides yield of the hydroethanolic extract. Furthermore, alkylamides were not detected in the aerial parts extract. Conclusion: PG extract offers a viable ethanol-free E. purpurea alternative, while maintaining a high alkylamides content.
{"title":"Development of a non-alcoholic extraction method for alkylamides in Echinacea purpurea","authors":"Zhixia (Grace) Chen , Michael Chamberlain , Xujiang Yuan","doi":"10.1016/j.phytol.2026.104115","DOIUrl":"10.1016/j.phytol.2026.104115","url":null,"abstract":"<div><div>Introduction: Alkylamides are recognized as the main active constituents of <em>Echinacea purpurea</em>. Owing to their lipophilic nature, they are conventionally extracted using ethanol-based solvents. Ethanol-free preparations, including Echinacea glycerites and glycetracts, have emerged as alternatives; however, their alkylamides content has not been rigorously verified and is assumed to be low. The lack of ethanol-free extracts capable of preserving alkylamides potency presents a major challenge for product development. Method: <em>E. purpurea</em> were subjected to ultrasonic-assisted extraction using propylene glycol (PG) as the extraction solvent. Comparative analyses were conducted with <em>E. purpurea</em> glycerite, glycetract and hydroethanolic extracts. Results: Organoleptic evaluation indicated that PG-based extracts retained the characteristic tingling properties observed in hydroethanolic extracts. Quantitative HPLC analysis demonstrated that glycerite and glycetract preparations contained approximately 44 % of the alkylamides concentration measured in hydroethanolic extracts. In contrast, PG-based ultrasonic extracts achieved 83 % of the alkylamides yield of the hydroethanolic extract. Furthermore, alkylamides were not detected in the aerial parts extract. Conclusion: PG extract offers a viable ethanol-free <em>E. purpurea</em> alternative, while maintaining a high alkylamides content.</div></div>","PeriodicalId":20408,"journal":{"name":"Phytochemistry Letters","volume":"72 ","pages":"Article 104115"},"PeriodicalIF":1.4,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145981516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-14DOI: 10.1016/j.phytol.2025.104105
Pragati Gupta , Kamal Dev , Chirag N. Patel , Gurjot Kaur
Developing effective therapies for COVID-19-triggered acute respiratory distress syndrome (ARDS) remains a major challenge. Inflammatory signaling molecules have emerged as promising druggable targets. This study employed an integrated network pharmacology and molecular modeling strategy to investigate the anti-inflammatory phytoconstituents (PCs) against COVID-19-triggered ARDS. Putative targets of PCs and disease genes were retrieved from multiple databases, followed by PPI and enrichment analyses, along with network visualization. Network pharmacology identified key phytoconstituents: 1-dehydro-6-gingerol, apigenin-7-glucoside, and quercetin, and crucial targets including EGFR, JAK2, RELA, HSP90AA1, and PIK3CA from the F-B-PCs-T-P network. Enriched inflammatory pathways included Toll-like receptor, PI3K-Akt, NOD-like receptor, and HIF-1 signaling. Molecular docking and dynamics simulations further confirmed stable, high-affinity interactions between these targets and selected PCs. Specifically, apigenin-7-glucoside showed strong binding with JAK2 and RELA, while quercetin favoured JAK2 and EGFR. Overall, the findings underscore the therapeutic potential of these PCs and validate integrated in silico approaches (in) drug discovery.
{"title":"Harnessing phytoconstituents to treat COVID-19 triggered acute respiratory distress syndrome: Insights from network pharmacology, and molecular modeling","authors":"Pragati Gupta , Kamal Dev , Chirag N. Patel , Gurjot Kaur","doi":"10.1016/j.phytol.2025.104105","DOIUrl":"10.1016/j.phytol.2025.104105","url":null,"abstract":"<div><div>Developing effective therapies for COVID-19-triggered acute respiratory distress syndrome (ARDS) remains a major challenge. Inflammatory signaling molecules have emerged as promising druggable targets. This study employed an integrated network pharmacology and molecular modeling strategy to investigate the anti-inflammatory phytoconstituents (PCs) against COVID-19-triggered ARDS. Putative targets of PCs and disease genes were retrieved from multiple databases, followed by PPI and enrichment analyses, along with network visualization. Network pharmacology identified key phytoconstituents: 1-dehydro-6-gingerol, apigenin-7-glucoside, and quercetin, and crucial targets including EGFR, JAK2, RELA, HSP90AA1, and PIK3CA from the F-B-PCs-T-P network. Enriched inflammatory pathways included Toll-like receptor, PI3K-Akt, NOD-like receptor, and HIF-1 signaling. Molecular docking and dynamics simulations further confirmed stable, high-affinity interactions between these targets and selected PCs. Specifically, apigenin-7-glucoside showed strong binding with JAK2 and RELA, while quercetin favoured JAK2 and EGFR. Overall, the findings underscore the therapeutic potential of these PCs and validate integrated <em>in silico</em> approaches (in) drug discovery.</div></div>","PeriodicalId":20408,"journal":{"name":"Phytochemistry Letters","volume":"71 ","pages":"Article 104105"},"PeriodicalIF":1.4,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145976718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-09DOI: 10.1016/j.phytol.2026.104113
Zhengyang He , Ailing Tian , Feng Gao , Zongrui Hou , Xiaohuan Li
Under reflux conditions, oridonin (1) reacted with p-toluenesulfonic anhydride/p-toluenesulfonic acid to afford an unexpected cascade double rearrangement product (6), rather than the anticipated hemiketal-hydrolysis product (5). Compound 6 features a 6/6/7 tricyclic carbon framework, whose structure was unambiguously established by spectroscopic analyses and single-crystal X-ray diffraction. A plausible cascade mechanism involving nucleophilic substitution and retro-Aldol steps is proposed. However, biological assays revealed that 6 did not show any antiproliferative activity, indicating that the intact C/D ring system is crucial for the cytotoxicity of oridonin.
{"title":"Reaction of oridonin with p-toluenesulfonic anhydride/p-toluenesulfonic acid: An unexpected cascade rearrangement","authors":"Zhengyang He , Ailing Tian , Feng Gao , Zongrui Hou , Xiaohuan Li","doi":"10.1016/j.phytol.2026.104113","DOIUrl":"10.1016/j.phytol.2026.104113","url":null,"abstract":"<div><div>Under reflux conditions, oridonin (<strong>1</strong>) reacted with <em>p</em>-toluenesulfonic anhydride/<em>p</em>-toluenesulfonic acid to afford an unexpected cascade double rearrangement product (<strong>6</strong>), rather than the anticipated hemiketal-hydrolysis product (<strong>5</strong>). Compound <strong>6</strong> features a 6/6/7 tricyclic carbon framework, whose structure was unambiguously established by spectroscopic analyses and single-crystal X-ray diffraction. A plausible cascade mechanism involving nucleophilic substitution and retro-Aldol steps is proposed. However, biological assays revealed that <strong>6</strong> did not show any antiproliferative activity, indicating that the intact C/D ring system is crucial for the cytotoxicity of oridonin.</div></div>","PeriodicalId":20408,"journal":{"name":"Phytochemistry Letters","volume":"71 ","pages":"Article 104113"},"PeriodicalIF":1.4,"publicationDate":"2026-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145925140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-08DOI: 10.1016/j.phytol.2025.104108
Qiongyan Fang , Yafang Ding , Xue Wu , Xinyi Yu , Xuting Lan , Jie Wang
(±)-Hippetitone, a pair of polyketide lactone enantiomers, was isolated from the South China Sea sponge Hippospongia lachne. The planar structures and relative configurations of these enantiomers were elucidated through HRESIMS and NMR data analysis. The enantiomers were successfully resolved using a normal-phase chiral column. Their absolute configurations were determined by comparing the calculated electronic circular dichroism (ECD) spectra with the experimentally obtained ones. In an in vitro anti-inflammatory assay, the enantiomers markedly reduced LPS-induced IL-6 production in RAW 264.7 cells at 10 μM, with inhibition rates of 71.9 % and 64.4 %, respectively.
{"title":"A pair of polyketide lactone enantiomers from the South China Sea sponge Hippospongia lachne","authors":"Qiongyan Fang , Yafang Ding , Xue Wu , Xinyi Yu , Xuting Lan , Jie Wang","doi":"10.1016/j.phytol.2025.104108","DOIUrl":"10.1016/j.phytol.2025.104108","url":null,"abstract":"<div><div>(±)-Hippetitone, a pair of polyketide lactone enantiomers, was isolated from the South China Sea sponge <em>Hippospongia lachne</em>. The planar structures and relative configurations of these enantiomers were elucidated through HRESIMS and NMR data analysis. The enantiomers were successfully resolved using a normal-phase chiral column. Their absolute configurations were determined by comparing the calculated electronic circular dichroism (ECD) spectra with the experimentally obtained ones. In an in vitro anti-inflammatory assay, the enantiomers markedly reduced LPS-induced IL-6 production in RAW 264.7 cells at 10 <em>μ</em>M, with inhibition rates of 71.9 % and 64.4 %, respectively.</div></div>","PeriodicalId":20408,"journal":{"name":"Phytochemistry Letters","volume":"71 ","pages":"Article 104108"},"PeriodicalIF":1.4,"publicationDate":"2026-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145925095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A chlorinated 2-(2-phenylethyl)chromone from artificial agarwood of Aquilaria sinensis was identified as a dopamine receptor D5 (DRD5) agonist. Comprehensive analyses the protein–protein interaction network, molecular docking, ADMET prediction, and molecular dynamics simulation revealed strong DRD5 binding and modulation of the cAMP/Ca²⁺ pathway in gastric cancer. The compound exhibited potent cytotoxic activity against MGC-803 and SGC-7901 cells in vitro. ADMET profiling revealed favorable pharmacokinetics and a promising safety profile. Compound CHE emerges as a promising lead therapeutic candidate for gastric cancer derived from agarwood.
{"title":"A chlorinated 2-(2-phenylethyl)chromone in artificial agarwood as a DRD5 agonist and mediates the cAMP/Ca²⁺ signaling pathway to intervene in the growth and proliferation of gastric cancer cells","authors":"Zi-Xiao Jiang, Jian Feng, Wen-Cheng Hou, Mei-Ran Wang, Shu-Nan Zhang, Yang-Yang Liu","doi":"10.1016/j.phytol.2026.104112","DOIUrl":"10.1016/j.phytol.2026.104112","url":null,"abstract":"<div><div>A chlorinated 2-(2-phenylethyl)chromone from artificial agarwood of <em>Aquilaria sinensis</em> was identified as a dopamine receptor D5 (DRD5) agonist. Comprehensive analyses the protein–protein interaction network, molecular docking, ADMET prediction, and molecular dynamics simulation revealed strong DRD5 binding and modulation of the cAMP/Ca²⁺ pathway in gastric cancer. The compound exhibited potent cytotoxic activity against MGC-803 and SGC-7901 cells in vitro. ADMET profiling revealed favorable pharmacokinetics and a promising safety profile. Compound CHE emerges as a promising lead therapeutic candidate for gastric cancer derived from agarwood.</div></div>","PeriodicalId":20408,"journal":{"name":"Phytochemistry Letters","volume":"71 ","pages":"Article 104112"},"PeriodicalIF":1.4,"publicationDate":"2026-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145925094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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