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Fate and state transitions during human blood vessel organoid development

Cell 2025年

作者： Nikolova, Marina T. He, Zhisong Seimiya, Makiko Jonsson, Gustav Cao, Wuji Okuda, Ryo Wimmer, Reiner A. Okamoto, Ryoko Penninger, Josef M. Camp, J. Gray Treutlein, Barbara Department of Biosystems Science and Engineering ETH Zurich Basel Switzerland Institute of Molecular Biotechnology of the Austrian Academy of Sciences Vienna Austria Vienna BioCenter PhD Program Doctoral School of the University of Vienna and Medical University of Vienna Vienna 1030 Austria Roche Pharma Research and Early Development Roche Innovation Center Basel Switzerland Department of Medical Genetics Life Science Institute University of British Columbia Vancouver V6T 1Z3 BC Canada Department of Laboratory Medicine Medical University of Vienna Vienna Austria Helmholtz Centre for Infection Research Braunschweig Germany Institute of Human Biology Roche Pharma Research and Early Development Roche Innovation Center Basel Basel Switzerland Biozentrum University of Basel Basel Switzerland

Human blood vessel organoids (hBVOs) have emerged as a system to model human vascular development and disease. Here, we use single-cell multi-omics together with genetic and signaling pathway perturbations to reconstruct hBVO development. Mesodermal progenitors bifurcate into endothelial and mural fates in vitro, and xenografted BVOs acquire definitive arteriovenous endothelial cell specification. We infer a gene regulatory network and use single-cell genetic perturbations to identify transcription factors (TFs) and receptors involved in cell fate specification, including a role for MECOM in endothelial and mural specification. We assess the potential of BVOs to generate organotypic states, identify TFs lacking expression in hBVOs, and find that induced LEF1 overexpression increases brain vasculature specificity. Finally, we map vascular disease-associated genes to hBVO cell states and analyze an hBVO model of diabetes. Altogether, we provide a comprehensive cell state atlas of hBVO development and illuminate the power and limitation of hBVOs for translational research. © 2025 The Authors

关键词： arteriovenous specification human blood vessel organoid human development organoid cell atlas single-cell genomics single-cell perturbation screen

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Discovery of Novel Zoanthamine-Type Alkaloids Derived from Cultured Zoanthus Kuroshio with Prominent Therapeutic Potential Against Osteoporosis

SSRN

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SSRN 2025年

作者： Pham, Ngoc-Thac Peng, Bo-Rong Le, Huong-Giang Chen, Yun-Shiuan Huynh, Thanh Hao Chen, Lo-Yun Nguyen, Le Anh Tuan Nguyen, Dang T. Su, Jui-Hsin El-Shazly, Mohamed Lee, Mei-Hsien Lai, Kuei-Hung PhD Program in Clinical Drug Development of Herbal Medicine College of Pharmacy Taipei Medical University Taipei110301 Taiwan Graduate Institute of Pharmacognosy College of Pharmacy Taipei Medical University Taipei110301 Taiwan Graduate Institute of Healthy Industry Technology Research Center for Chinese Herbal Medicine College of Human Ecology Chang Gung University of Science and Technology Taoyuan333324 Taiwan Faculty of Pharmacy Lac Hong University Dongnai Bien Hoa Viet Nam Faculty of Applied Sciences Ton Duc Thang University Ho Chi Minh City Viet Nam National Museum of Marine Biology and Aquarium Pingtung944401 Taiwan Department of Marine Biotechnology and Resources National Sun Yat-sen University Kaohsiung804201 Taiwan Department of Pharmacognosy Faculty of Pharmacy Ain-Shams University Organization of African Unity Street Abassia Cairo11566 Egypt Center for Reproductive Medicine and Sciences Taipei Medical University Hospital Taipei110301 Taiwan Traditional Herbal Medicine Research Center Taipei Medical University Hospital Taipei110301 Taiwan

Marine invertebrates are well-established as prolific sources of secondary metabolites, renowned for their remarkable chemical diversity and extensive spectrum of biological activities. Among these, Zoanthus Kuroshio (ZK) has gained significant attention due to its abundant chemical constituents, particularly alkaloids, which exhibit promising bioactivities against osteoporosis. To investigate its therapeutic potential, the extracts of cultured ZK exhibited significant anti-osteoporotic activity in vitro with MG-63 cells, leading to the integration of Global Natural Products Social Molecular Networking (GNPS) to identify fractions containing the highest amounts of alkaloids. Subsequent isolation efforts resulted in the discovery of five novel zoanthamine-type alkaloids: norzoabenzaldehyde (1), norzoazepanol (2), 11-keto-3-acetoxynorzoanthamine (3), 11-hydroxynorzoanthamide B (4), and 11-hydroxyzoanthamide B (5), alongside four previously identified compounds, including norzoanthaminone (6), 3-acetoxynorzoanthamine (7), 3-acetoxyzoanthamine (8), and 3-hydroxynorzoanthamine (9). Structural elucidation of compounds 1, 3, 4, and 5 was achieved using comprehensive spectroscopic analyses, whereas compound 2 required advanced techniques, including time-dependent density functional theory nuclear magnetic resonance (TDDFT-NMR) calculations and comparative analysis of theoretical and experimental electronic circular dichroism (ECD) data, to ascertain its absolute configuration. Bioassays evaluating alkaline phosphatase activity and mineralization demonstrated that compound 9 exhibited significant activity, with an IC50 value of 20 µM. The mechanism by which this compound operates was elucidated through network pharmacology, molecular docking and dynamics simulations, further confirming the stability of interactions between compound 9 and key protein targets, thereby emphasizing its potential as a promising lead compound for osteoporosis therapeutics. © 2025, The Authors. All

关键词： Spectroscopic analysis

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Chlorine-containing polyacetoxybriarane diterpenoids from the octocoral Junceella fragilis

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RSC Advances 2024年第24期14卷 17195-17201页

作者： Do, Hai Nhat Chen, Yu-Ta Chien, Su-Ying Chen, You-Ying Zhang, Mingzi M. Tsou, Lun Kelvin Chen, Jih-Jung Wen, Zhi-Hong Lo, Yi-Hao Zheng, Li-Guo Sung, Ping-Jyun Department of Marine Biotechnology and Resources National Sun Yat-sen University Kaohsiung804201 Taiwan National Museum of Marine Biology & Aquarium Pingtung944401 Taiwan Department of Family Medicine Zuoying Armed Forces General Hospital Kaohsiung813204 Taiwan Instrumentation Center National Taiwan University Taipei106319 Taiwan Institute of Molecular and Genomic Medicine National Health Research Institutes Miaoli350401 Taiwan Institute of Biotechnology and Pharmaceutical Research National Health Research Institutes Miaoli350401 Taiwan Department of Pharmacy School of Pharmaceutical Sciences National Yang Ming Chia Tung University Taipei112304 Taiwan Shu-Zen Junior College of Medicine and Management Kaohsiung821004 Taiwan Institute of Medical Science and Technology National Sun Yat-sen University Kaohsiung804201 Taiwan Doctoral Degree Program in Marine Biotechnology National Sun Yat-sen University Kaohsiung804201 Taiwan Chinese Medicine Research and Development Center China Medical University Hospital Taichung404394 Taiwan Graduate Institute of Natural Products Kaohsiung Medical University Kaohsiung807378 Taiwan PhD Program in Pharmaceutical Biotechnology Fu Jen Catholic University New Taipei City242062 Taiwan

The chemical screening of an octocoral identifed as Junceella fragilis has led to the isolation of five chlorinated briarane-type diterpenoids, including three known metabolites, gemmacolide X (1), frajunolide I (2), and fragilide F (3), along with two new analogs, 12α-acetoxyfragilide F (4) and 12α-acetoxyjunceellin (5). Single-crystal X-ray diffraction analysis was carried out to determine the absolute configurations of 1 and 2, while the structures of new compounds 4 and 5 were ascertained with 2D NMR experiments. Briaranes 1 and 3-5 were active in enhancing alkaline phosphatase (ALP) activity. © 2024 The Royal Society of Chemistry.

关键词： Metabolites

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Computer-aided drug discovery of a dual-target inhibitor for ovarian cancer: therapeutic intervention targeting CDK1/TTK signaling pathway and structural insights in the NCI-60

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Computers in Biology and Medicine 2025年 193卷

作者： Sung-Ling Tang Maryam Rachmawati Sumitra Yu-Cheng Kuo Han-Lin Hsu Muhamad Ansar Sheng-Liang Huang Shih-Yu Lee Hong-Jaan Wang Bashir Lawal Alexander T.H. Wu Lung-Ching Chen Hsu-Shan Huang School of Pharmacy National Defense Medical Center Taipei 11490 Taiwan PhD Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei 11031 Taiwan Graduate Institute of Cancer Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei 11031 Taiwan Department of Pharmacology School of Medicine College of Medicine Taipei Medical University Taipei 11031 Taiwan School of Post-Baccalaureate Chinese Medicine College of Chinese Medicine China Medical University Taichung 40604 Taiwan Graduate Institute of Clinical Medicine Taipei Medical University Taipei 11031 Taiwan Division of Pulmonary Medicine Department of Internal Medicine Wanfang Hospital Taipei Medical University Taipei 11031 Taiwan Ph.D. Program in the Clinical Drug Development of Herbal Medicine Taipei Medical University Taipei 110301 Taiwan Graduate Institute of Aerospace and Undersea Medicine National Defense Medical Center Taipei 11490 Taiwan UPMC Hillman Cancer Center University of Pittsburgh Pittsburgh PA USA Ph.D. Program of Translational Medicine College of Science and Technology Taipei Medical University Taipei 11031 Taiwan Division of Cardiology Department of Internal Medicine Shin Kong Wu Ho-Su Memorial Hospital Taipei 11101 Taiwan Ph.D. Program in Biotechnology Research and Development College of Pharmacy Taipei Medical University Taipei 11031 Taiwan

Ovarian cancer remains the third most prevalent and deadliest gynecologic malignancy worldwide, with most patients eventually developing resistance to platinum-based chemotherapy. This highlights a critical unmet need for innovative multitargeted therapies to address current treatment challenges. In this study, we identified 35 differentially expressed genes (DEGs) through integrated analysis of four GEO ovarian cancer datasets, with validation using TCGA data. Gene Ontology (GO) and KEGG enrichment analyses highlighted key tumor-associated pathways, and protein–protein interaction (PPI) network modeling prioritized CDK1 and TTK as high-value therapeutic targets. We evaluated the association between molecular genomic features and drug responses across the NCI-60 ovarian cancer cell line panel (IGROV1, OVCAR-3, OVCAR-4, OVCAR-5, OVCAR-8, NCI/ADR-RES, and SK-OV-3), using a series of salicylanilide-derived compounds and four FDA-approved drugs (cabozantinib, paclitaxel, rapamycin, and niclosamide) from the NCI developmental Therapeutics program (DTP). Among these, NSC765690 (MCC22) emerged as the most promising candidate. It demonstrated potent antiproliferative activity, high target selectivity, and strong binding affinity to both CDK1 and TTK. Multi-omics integration, combined with AI-driven network modeling, further elucidated NSC765690's mechanism of action and its relevance to ovarian cancer pathogenesis. Additionally, ADMET and pharmacokinetic profiling confirmed its favorable drug-like properties and low predicted toxicity. Collectively, these findings establish NSC765690 as a potent dual-target inhibitor and exemplify a rational, data-driven drug discovery pipeline for overcoming chemotherapy resistance in ovarian cancer.

关键词： Ovarian cancer Dual-target small molecule inhibitor Molecular docking NCI-60 panel Machine learning Molecular dynamics simulations OC ovarian cancer ML machine learning NLP natural language processing DEGs Differentially Expressed Genes PPI Protein-Protein Interaction GEO Gene Expression Omnibus GO Gene Ontology IPA Ingenuity Pathway Analysis TCGA The Cancer Genome Atlas KEGG Kyoto Encyclopedia of Genes and Genomes GO-BP Gene Ontology-Biological Process DTP developmental Therapeutics program NCI National Cancer Institute CC Cellular Component MF Molecular Functions IHC immunohistochemical FDR false discovery rate BBB Blood brain barrier 3D three-dimensional MDS molecular dynamics simulation analysis RMSF analysis Root Mean Square Fluctuation analysis CDKs cyclin-dependent kinases TTK threonine and tyrosine kinase CNS central nervous system OS overall survival CSC cancer stem cells AI artificial intelligence SRB sulforhodamine B assay ADMET absorption, distribution, metabolism, excretion, and toxicity HPA human protein atlas WES whole exome sequencing MDR multidrug resistance HGSOC high-grade serous ovarian cancer TKI tyrosine kinase inhibitor SAC spindle assembly checkpoint HRR homologous recombination repair HRD homologous recombination deficiency

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Interactive Effects of a Combination of the HDAC3 and HDAC9 Genes with Diabetes Mellitus on the Risk of Ischemic Stroke

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Thrombosis and Haemostasis 2020年第3期121卷 396-404页

作者： Hung-Yi Chiou Chyi-Huey Bai Li-Ming Lien Chaur-Jong Hu Jiann-Shing Jeng Sung-Chun Tang Huey-Juan Lin Yi-Chen Hsieh School of Public Health College of Public Health Taipei Medical University Taipei Taiwan Master Program in Applied Molecular Epidemiology College of Public Health Taipei Medical University Taipei Taiwan School of Medicine College of Medicine Taipei Medical University Taipei Taiwan Department of Neurology Shin Kong Wu Ho-Su Memorial Hospital Taipei Taiwan Stroke Center Department of Neurology Shuang Ho Hospital Taipei Medical University New Taipei City Taiwan Stroke Center and Department of Neurology National Taiwan University Hospital Taipei Taiwan Department of Emergency Medicine Chi-Mei Medical Center Tainan Taiwan Department of Biotechnology Southern Taiwan University of Science and Technology Tainan Taiwan PhD Program of Neural Regenerative Medicine College of Medical Science and Technology Taipei Medical University Taipei Taiwan PhD Program in Biotechnology Research and Development College of Pharmacy Taipei Medical University Taipei Taiwan

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Synthesis of bioactive evodiamine and rutaecarpine analogues under ball milling conditions

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Organic and Biomolecular Chemistry 2024年第13期22卷 2620-2629页

作者： Hu, Hao-Chun Yu, Szu-Yin Tsai, Yi-Hong Hsieh, Pei-Wen Wang, Hui-Chun Chen, Yan-Ning Chuang, Ya-Ting Lee, Min-Yu Chang, Hsueh-Wei Wu, Yang-Chang Chang, Fang-Rong Szatmári, István Fülöp, Ferenc Graduate Institute of Natural Products College of Pharmacy Kaohsiung Medical University Kaohsiung80708 Taiwan Institute of Pharmaceutical Chemistry HUN-REN-Stereochemistry Research Group University of Szeged Szeged6720 Hungary Graduate Institute of Natural Products School of Traditional Chinese Medicine College of Medicine Chang Gung University Taoyuan333 Taiwan Institute of Pharmacognosy University of Szeged Szeged6720 Hungary Department of Pharmacy and Master Program College of Pharmacy and Health Care Tajen University Pingtung County907101 Taiwan Graduate Institute of Biomedical Sciences College of Medicine Chang Gung University Taoyuan333 Taiwan Department of General Surgery Chang Gung Memorial Hospital Chiayi613 Taiwan Department of Biomedical Science and Environmental Biology PhD Program in Life Sciences College of Life Science Kaohsiung Medical University Kaohsiung80708 Taiwan Graduate Institute of Medicine College of Medicine Kaohsiung Medical University Kaohsiung80708 Taiwan Department of Otorhinolaryngology-Head and Neck Surgery Fu Jen Catholic University Hospital Fu Jen Catholic University New Taipei City242062 Taiwan School of Medicine College of Medicine Fu Jen Catholic University New Taipei City242062 Taiwan Chinese Medicine Research and Development Center China Medical University Hospital Taichung404 Taiwan Graduate Institute of Integrated Medicine China Medical University Taichung404 Taiwan Drug Development and Value Creation Research Center Kaohsiung Medical University Kaohsiung807378 Taiwan Department of Medical Research Kaohsiung Medical University Hospital Kaohsiung Medical University Kaohsiung807378 Taiwan Department of Marine Biotechnology and Resources National Sun Yat-sen University Kaohsiung80424 Taiwan

Mechanochemical reactions achieved by processes such as milling and grinding are promising alternatives to traditional solution-based chemistry. This approach not only eliminates the need for large amounts of solvents, thereby reducing waste generation, but also finds applications in chemical and materials synthesis. The focus of this study is on the synthesis of quinazolinone derivatives by ball milling, in particular evodiamine and rutaecarpine analogues. These compounds are of interest due to their diverse bioactivities, including potential anticancer properties. The study examines the reactions carried out under ball milling conditions, emphasizing their efficiency in terms of shorter reaction times and reduced environmental impact compared to conventional methods. The ball milling reaction of evodiamine and rutaecarpine analogues resulted in yields of 63-78% and 22-61%, respectively. In addition, these compounds were tested for their cytotoxic activity, and evodiamine exhibited an IC50 of 0.75 ± 0.04 μg mL−1 against the Ca9-22 cell line. At its core, this research represents a new means to synthesise these compounds, providing a more environmentally friendly and sustainable alternative to traditional approaches. © 2024 The Royal Society of Chemistry.

关键词： Ball milling

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Capnesterones A and B, new steroids isolated from the soft coral Capnella imbricata

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Phytochemistry Letters 2024年 61卷 115-119页

作者： Cheng, Ting-Yu Yang, Chia-Jung Chen, Po-Jen Chen, Yu-Li Peng, Bo-Rong Kung, Te-An Wen, Zhi-Hong Lai, Kuei-Hung Chung, Hsu-Ming Department of Applied Chemistry National Pingtung University Pingtung 900393 Taiwan Clinical Immunology Laboratory Department of Medical Research E-Da Hospital I-Shou University Kaohsiung 824005 Taiwan Research Center for Chinese Herbal Medicine Graduate Institute of Healthy Industry Technology College of Human Ecology Chang Gung University of Science and Technology Taoyuan 33305 Taiwan Graduate Institute of Biomedical Sciences Graduate Institute of Natural Products College of Medicine Chang Gung University Taoyuan 33305 Taiwan Graduate Institute of Pharmacognosy College of Pharmacy Taipei Medical University Taipei 11031 Taiwan Institute of Food Safety Management National Pingtung University of Science and Technology Pingtung 91201 Taiwan Department of Marine Biotechnology and Resources National Sun Yat-sen University Kaohsiung 804201 Taiwan Institute of BioPharmaceutical Sciences National Sun Yat-sen University Kaohsiung 804201 Taiwan PhD Program in Clinical Drug Development of Herbal Medicine College of Pharmacy Taipei Medical University Taipei 11031 Taiwan Traditional Herbal Medicine Research Center Taipei Medical University Hospital Taipei 11031 Taiwan

Two new non-withanolidal steroids with a cross-conjugated dienone structural unit in ring A, capnesterones A (1) and B (2), were isolated from the soft coral Capnella imbricata in the southeast waters of Taiwan. The compounds' structures were elucidated through a comprehensive analysis of spectroscopic data, including IR, ESIMS, ¹H NMR, and ¹³C NMR, and through comparison with previous literature. At a concentration of 10 μM, steroids 1 and 2 exhibited reductions in iNOS levels (60 % and 82 %) compared to LPS-stimulated control cells, along with increased release (134 % and 110 %) against COX-2 protein expressions. © 2024 Phytochemical Society of Europe

关键词： Capnella imbricata COX-2 INOS Steroid

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Structure-based design, synthesis and biological evaluation of N-substituted 6H-thiochromeno[2,3–c]quinolin-12(12H)-one as potential breast cancer drugs

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Arabian Journal of Chemistry 2024年第1期17卷

作者： Sumitra, Maryam Rachmawati Chen, Lung-Ching Tsai, Wei-Chen Ansar, Muhamad Lawal, Bashir Mokgautsi, Ntlotlang Guh, Jih-Hwa Wu, Alexander T.H Huang, Hsu-Shan PhD Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei11031 Taiwan Graduate Institute of Cancer Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei11031 Taiwan Division of Cardiology Department of Internal Medicine Shin Kong Wu Ho-Su Memorial Hospital Taipei11101 Taiwan School of Medicine Fu Jen Catholic University New Taipei24205 Taiwan School of Pharmacy National Defense Medical Center Taipei11490 Taiwan Clinical Drug Development of Herbal Medicine Taipei Medical University Taipei11031 Taiwan The PhD Program of Translational Medicine College of Science and Technology Taipei Medical University Taipei11031 Taiwan Clinical Research Center Taipei Medical University Hospital Taipei Medical University Taipei11031 Taiwan Graduate Institute of Medical Sciences National Defense Medical Center Taipei11490 Taiwan School of Pharmacy National Taiwan University No. 33 Linsen S. Rd. Zhongzheng Dist. Taipei10025 Taiwan Biotechnology Research and Development College of Pharmacy Taipei Medical University Taipei11031 Taiwan

Tetraheterocyclic compounds, derived from natural sources and contemporary pharmaceuticals, have shown promise as multitarget therapeutic agents. However, their mechanisms of action remain partially understood. In this study, we synthesized a series of 6H-thiochromeno[2,3-c]quinolin-12(12H)-one derivative, totaling 26 compounds, and assessed their potential for therapeutic application. We evaluated their effects on cell proliferation and conducted NCI-60 cell panel assays. MTT assays revealed that select compounds exhibited notable antiproliferative activity against two breast cancer cell lines (MCF-7 and MDA-MB-468). Notably, compounds 17 and 18 displayed the highest cytotoxicity against these cell lines. Furthermore, one-dose assays of the NCI-60 human tumor cell line screening program identified compounds 6, 7, 16, 18, 20, 24, 25, and 30 for further investigation. Subsequent five-dose cytotoxicity studies focused on compounds 18 and 20, which met the threshold inhibition criteria across a panel of cell lines. Our study highlights the effectiveness of compounds 18 and 20 in targeting breast cancer cell lines. Molecular docking simulations revealed that these compounds bind to the active sites of topoisomerase I (TOPO I). Our findings suggest that these novel compounds are promising anticancer agents, particularly against breast cancer, and are worthy of consideration as lead pharmacological candidates. © 2023 The Authors

关键词： Cell proliferation

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Plasma Phosphorylated-tau181 is a Predictor of Poststroke Cognitive Impairment: A Longitudinal Study

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Cerebral Circulation: Cognition and Behavior 2024年 6卷 100118-100118页

作者： Huang, Li-Kai Hu, Chaur-Jong Lo, Yu-Chun Hsieh, Yi-Chen Department of Neurology Shuang Ho Hospital Taipei Medical University New Taipei City Taiwan Department of Neurology School of Medicine College of Medicine Taipei Medical University Taipei Taiwan PhD Program for Neural Regenerative Medicine College of Medical Science and Technology Taipei Medical University Taipei Taiwan PhD Program in Biotechnology Research and Development College of Pharmacy Taipei Medical University Taipei Taiwan

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Unprecedented anti-inflammatory biscembranoids with 3-hydroperoxy-3-methylcyclohex-1-ene moiety isolated from aquaculture Sarcophyton trocheliophorum

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Aquaculture Reports 2023年 33卷

作者： Peng, Bo-Rong Nguyen, Ngoc Bao An Chen, Lo-Yun El-Shazly, Mohamed Hwang, Tsong-Long Su, Jui-Hsin Lai, Kuei-Hung Graduate Institute of Pharmacognosy College of Pharmacy Taipei Medical University Taipei 11031 Taiwan PhD Program in Clinical Drug Development of Herbal Medicine College of Pharmacy Taipei Medical University Taipei 11031 Taiwan Department of Pharmacognosy Faculty of Pharmacy Ain-Shams University Organization of African Unity Street Cairo Abassia 11566 Egypt Research Center for Chinese Herbal Medicine College of Human Ecology Chang Gung University of Science and Technology Taoyuan 33303 Taiwan Graduate Institute of Health Industry Technology College of Human Ecology Chang Gung University of Science and Technology Taoyuan 33303 Taiwan Department of Anaesthesiology Chang Gung Memorial Hospital Taoyuan 33305 Taiwan Graduate Institute of Natural Products College of Medicine Chang Gung University Taoyuan 33302 Taiwan Department of Chemical Engineering Ming Chi University of Technology New Taipei City 24301 Taiwan National Museum of Marine Biology & Aquarium Pingtung 94450 Taiwan Department of Marine Biotechnology and Resources National Sun Yat-sen University Kaohsiung 80424 Taiwan Traditional Herbal Medicine Research Center Taipei Medical University Hospital Taipei 11031 Taiwan

Recent advancements in the discovery of natural products have made significant progress in rapidly identifying known compounds from complex extracts using advanced spectroscopic technologies. Among these methods, one powerful approach called MS/MS molecular networking (MN) organizes chemical similarity based on MS/MS fragmentation data, serving as a valuable complement to traditional dereplication strategies. In our ongoing research focused on lead discovery from a sustainable medicinal source, an aquaculture soft coral Sarcophyton trocheliophorum, the MN profiling approach revealed the chemical diversity of biscembranoid analogs. By analyzing the MN pattern, biscembranoid derivatives with unique MS/MS fragments were prioritized for further investigation. Two novel biscembranoids, sarcotroxide A (1) and B (2), were successfully obtained through targeted isolation. These novel biscembranes contained an unprecedented 3-hydroperoxy-3-methylcyclohex-1-ene moiety compared with all biscembranoid analogs. The chemical structures of the two new biscembranoids were confirmed through spectroscopic analyses and in silico calculations. Their anti-inflammatory properties were assessed against the generation of superoxide anion (O₂^•−) and elastase release in activated human neutrophils. Sarcotroxides A (1) and B (2) exhibited anti-inflammatory activity by inhibiting O₂^•− accumulation (with 43.67% and 61.62% inhibition) and elastase release (with 38.21% and 61.62% inhibition) at 10 µM. These findings validated the potential of these biscembranoids from the cultured S. trocheliophorum as promising candidates for the future development of anti-inflammatory agents specifically designed to target neutrophils. © 2023 The Authors

关键词： Anti-inflammation Aquaculture soft coral Biscembranoid Neutrophil Sarcophyton trocheliophorum

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