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Acta Pharmaceutica Sinica B 2021年第9期11卷 2749-2767页

作者： Guoyi Tang Sha Li Cheng Zhang Haiyong Chen Ning Wang Yibin Feng School of Chinese Medicine Li Ka Shing Faculty of Medicinethe University of Hong KongHong Kong SAR 999077China

Diabetic nephropathy(DN) has been recognized as a severe complication of diabetes mellitus and a dominant pathogeny of end-stage kidney disease,which causes serious health problems and great financial burden to human society *** strategies,such as renin-angiotensinaldosterone system blockade,blood glucose level control,and bodyweight reduction,may not achieve satisfactory outcomes in many clinical practices for DN ***,due to the multi-target function,Chinese medicine possesses promising clinical benefits as primary or alternative therapies for DN *** studies have emphasized identifying bioactive compounds and molecular mechanisms of reno-protective effects of Chinese *** pathways involved in glucose/lipid metabolism regulation,antioxidation,anti-inflammation,anti-fibrosis,and podocyte protection have been identified as crucial mechanisms of ***,we summarize the clinical efficacies of Chinese medicines and their bioactive components in treating and managing DN after reviewing the results demonstrated in clinical trials,systematic reviews,and meta-analyses,with a thorough discussion on the relative underlying mechanisms and molecular targets reported in animal and cellular *** aim to provide comprehensive insights into the protective effects of Chinese medicines against DN.

关键词： Chinese medicine Herbal medicine Diabetic nephropathy Diabetic kidney disease Signaling pathway molecular target

Network pharmacology-based prediction and verification of the molecular targets and pathways for schisandrin against cerebrovascular disease

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Chinese Journal of Natural Medicines 2014年第4期12卷 251-258页

作者： LV Yan-Ni LI Shao-Xia ZHAI Ke-Feng KOU Jun-Ping YU Bo-Yang State Key Laboratory of Natural Medicines China Pharmaceutical University Department of Complex Prescription of TCM China Pharmaceutical University

AIM： To illuminate the molecular targets for schisandrin against cerebrovascular disease based on the combined methods of network pharmacology prediction and experimental verification. METHOD： A protein database was established through constructing the drug-protein network from literature mining data. The protein-protein network was built through an in-depth exploration of the relationships between the proteins. The computational platform was implemented to predict and extract the sensitive sub-network with significant P-values from the protein-protein network. Then the key targets and pathways were identified from the sensitive sub-network. The most related targets and pathways were also confirmed in hydrogen peroxide （H202）-induced PC 12 cells by Western blotting. RESULTS： Twelve differentially expressed proteins （gene names： NFKB1, RELA, TNFSF10, MAPK1, CHUK, CASP8, PIGS2, MAPK 14, CREBI, IFNG, APR and BCL2） were confirmed as the central nodes of the interaction network （45 nodes, 93 edges）. The NF-KB signaling pathway was suggested as the most related pathway of schisandrin for cerebrovascular disease. Furthermore, schisandrin was found to suppress the expression and phosphorylation of 1KKct, as well as p50 and p65 induced by H2O2 in PC12 cells by Western blotting. CONCLUSION： The computational platform that integrates literature mining data, protein-protein interactions, sensitive sub-network, and pathway results in identification of the NF-arB signaling pathway as the key targets and pathways for schisandrin.

关键词： Schisandrin Network pharmacology Cerebrovascular disease molecular target NF-xB signaling pathway

Fe-porphyrin:A redox-related biosensor of hydrogen molecule

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Nano Research 2023年第2期16卷 2020-2025页

作者： Zhaokui Jin Penghe Zhao Wanjun Gong Wenjiang Ding Qianjun He Center of Hydrogen Science School of Materials Science and EngineeringShanghai Jiao Tong University800 Dongchuan RoadShanghai 200240China School of Biomedical Engineering Health Science CenterShenzhen University1066 Xueyuan RoadShenzhen 518060China

Hydrogen molecule(H_(2))exhibits broad-spectrum but microenvironment-dependent biomedical effects in varied oxidation stress-related diseases,but its molecular mechanism is unclear and its targeting molecule is unknown so ***,we originally reveal that Fe-porphyrin is a H_(2)-targeted *** have demonstrated that the oxidized Fe-porphyrin in both free and protein-confining states can self-catalyze the hydrogenation/reduction by reacting with H_(2)to catalytically scavenge∙OH,and can also catalytically hydrogenate to reduce CO_(2)into CO in the hypoxic microenvironment of in vitro simulation and in vivo tumor,confirming that Fe-porphyrin is a redox-related biosensor of H_(2)and H_(2)is an upstream signaling molecule of *** discoveries are favorable for deep understanding and exploration of profound biomedical effects of H2,and helpful for development of innovative drugs and hydrogen energy/agricultural materials.

关键词： hydrogen molecule molecular mechanism molecular target hydrogen medicine porphyrin catalysis carbon monoxide

Costunolide covalently targets NACHT domain of NLRP3 to inhibit inflammasome activation and alleviate NLRP3-driven inflammatory diseases

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Acta Pharmaceutica Sinica B 2023年第2期13卷 678-693页

作者： Haowen Xu Jiahao Chen Pan Chen Weifeng Li Jingjing Shao Shanshan Hong Yi Wang Lingfeng Chen Wu Luo Guang Liang Chemical Biology Research Center School of Pharmaceutical SciencesWenzhou Medical UniversityWenzhou 325035China School of Pharmaceutical Sciences Hangzhou Medical CollegeHangzhou 311399China Medical Research Center the First Affiliated Hospital of Wenzhou Medical UniversityWenzhou 325000China

The NLRP3 inflammasome’s core and most specific protein,NLRP3,has a variety of functions in inflammation-driven ***(COS)is the major active ingredient of the traditional Chinese medicinal herb Saussurea lappa and has anti-inflammatory activity,but the principal mechanism and molecular target of COS remain ***,we show that COS covalently binds to cysteine 598 in NACHT domain of NLRP3,altering the ATPase activity and assembly of NLRP3 *** declare COS’s great anti-inflammasome efficacy in macrophages and disease models of gouty arthritis and ulcerative colitis via inhibiting NLRP3 inflammasome *** also reveal that theα-methylene-γ-butyrolactone motif in sesquiterpene lactone is the certain active group in inhibiting NLRP3 *** together,NLRP3 is identified as a direct target of COS for its anti-inflammasome ***,especially theα-methylene-γ-butyrolactone motif in COS structure,might be used to design and produce novel NLRP3 inhibitors as a lead compound.

关键词： Costunolide NLRP3 inflammasome Inflammation molecular target NACHT domain α-Methylene-γ-butyrolactone Gouty arthritis Ulcerative colitis

Anticancer Properties of Lobetyolin,an Essential Component of Radix Codonopsis(Dangshen)

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Natural Products and Bioprospecting 2021年第2期11卷 143-153页

作者： Christian Bailly OncoWitan 59290 Lille(Wasquehal)France

Lobetyolin(LBT)is a polyacetylene glycoside found in diverse medicinal plants but mainly isolated from the roots of Codo-nopsis pilosula,known as Radix Codonopsis or *** traditional Chinese medicinal preparations containing Radix Codonopsis were identified;they are generally used to tonify spleen and lung Qi and occasionally to treat *** we have reviewed the anticancer properties of Codonopsis extracts,LBT and structural *** and lobetyolinin are the mono-and bis-glucosylated forms of the polyacetylenic compound *** and LBT have shown activi-ties against several types of cancer(notably gastric cancer)and we examined the molecular basis of their activity.A down-regulation of glutamine metabolism by LBT has been evidenced,contributing to drug-induced apoptosis and tumor growth *** markedly reduces both mRNA and protein expression of the amino acid transporter Alanine-Serine-Cysteine Transporter 2(ASCT2).Other potential targets are proposed here,based on the structural analogy with other anticancer *** and related polyacetylene glycosides should be further considered as potential anticancer agents,but more work is needed to evaluate their efficacy,toxicity,and risk-benefit ratio.

关键词： Cancer therapy Natural products Mechanism of action molecular target Terpenoids Lobetyolin Polyacetylene glycoside Glutamine metabolism

A new horizon for the steroidal alkaloid cyclovirobuxine D(huangyangning)and analogues:Anticancer activities and mechanism of action

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Journal of Traditional Chinese Medical Sciences 2020年第4期7卷 337-344页

作者： Christian Bailly Jihong Zhang Oncowitan Lille(Wasquehal)59290France Medical School Kunming University of Science and TechnologyKunming650500China

The steroidal alkaloid cyclovirobuxine D(Cvb-D)is the active principle of the oral drug huangyangning used for many years in China for the treatment of cardiovascular and cerebrovascular *** drug is listed in the Chinese *** studies have revealed that this unsung alkaloid also displays anticancer properties in vitro and in *** drug activates several signaling pathways,and notably represses phosphorylation of proteins EGFR,ERK,Akt,***,Cvb-D exerts antiproliferative and antimetastatic *** the present review,the anticancer effects of Cvb-D and related natural products isolated from Buxus species have been *** molecular targets of Cvb-D are unknown at present,but hypotheses are formulated based on the signaling pathways modulated by the drug and the analogy with other *** EGFR and CTHRC1,implicated in the antiproliferative action of Cvb-D,could be considered as upstream targets.A bolder assumption is also formulated with the metastasis-associated protein S100A4 as a potential co-target for *** review aims to shed light on the anticancer properties of Cvb-D and to encourage further mechanistic studies with this drug with a good safety profile and a recognized anti-cardiovascular efficacy.

关键词： Cyclovirobuxine D Cancer therapy Natural products molecular target Signaling pathway

Anticancer Activities and Mechanism of Action of Nagilactones, a Group of Terpenoid Lactones Isolated from Podocarpus Species

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Natural Products and Bioprospecting 2020年第6期10卷 367-375页

作者： Christian Bailly OncoWitan 59290 Lille(Wasquehal)France

Nagilactones are tetracyclic natural products isolated from various Podocarpus *** lactone-based compounds display a range of pharmacological effects,including antifungal,anti-atherosclerosis,anti-inflammatory and anticancer activities reviewed *** most active derivatives,such as nagilactones C,E and F,exhibit potent anticancer activities against different cancer cell lines and tumor models.A comprehensive analysis of their mechanism of action indicates that their anticancer activity mainly derives from three complementary action:(i)a drug-induced inhibition of cell proliferation coupled with a cell cycle perturbation and induction of apoptosis,(ii)a blockade of the epithelial to mesenchymal cell transi-tion contributing to an inhibition of cancer cell migration and invasion and(iii)a capacity to modulate the PD-L1 immune *** molecular effectors have been implicated in the antitumor activity,chiefly the AP-1 pathway blocked upon activation of the JNK/c-Jun ***-C is a potent inhibitor of protein synthesis binding to eukaryotic ribosomes and inhibition of different protein kinases,such as RIOK2 and JAK2,has been postulated with *** literature survey on nagilactones highlights the therapeutic potential of these little-known *** mechanistic analysis also provides useful information for structurally related compounds(podolactones,oidiolactones,inumakilactones)isolated from Podo-carpus plants.

关键词： Cancer Natural products Mechanism of action molecular target Terpenoids

molecular-targeted Antitumor Agents:Discovery of Natural Product-Based PPAR-gamma Activators

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Molecular-Targeted Antitumor Agents:Discovery of Natural Pro...

Digging bioactive natural products from privileged scaffold via integrated strategy

第十五届国际药理学大会

作者： Nagle Dale Mora Flor Desai Prashant Patny Akshay Avery Mitchell Pharmacognosy Dept Pharmacognosy Dept Medicinal Chemistry Dept. U.Mississippi University MS38677 USA. Medicinal Chemistry Dept Medicinal Chemistry Dept

＜正＞ Peroxisome proliferate - activated receptors （PPARs） are ligand- activated transcription *** of PPAR - gamma have been shown to inhibit growth, promote terminal differentiation, and induce apoptosis in human breast tumor cells.A MCF7 cell - based reporter assay was developed to examine extracts of terrestrial andmarine organisms for the ability to activate PPAR - *** of active extracts from the marine sponge Pseudoceratina rhax and a member of the tomato family Physalis angulata yielded the histone deacetylase （HDAC） inhibitor psammaplin A and a group of highly oxygenated secosteroidsknown as physalins,*** A and physalins were shown to activate PPAR - g and induce apoptosis in MCF-7 breast tumor cells. molecular modeling studies suggest that psammaplin A and physalins may interact with binding sites within the PPAR - g ligand - binding pocket and activation of PPAR - g - regulated gene expression may play a role in the ability of these natural products to induce apoptosis in tumor cells.

关键词： PPAR- gamma breast cancer drug discovery molecular target

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Digging bioactive natural products from privileged scaffold ...

Biomarker-based MicroRNA Therapeutic Strategies for Hepatocellular Carcinoma

中国化学会第十二届全国天然有机化学学术会议

作者：邓贤明 State Key Laboratory of Cellular Stress Biology School of Life SciencesXiamen University State-province Joint Engineering Laboratory of targeted Drugs from Natural Products Xiamen University

Natural products represent privileged chemotypes decorated by evolution to interact with biological *** provides a rich resource for innovative molecular scaffolds and substructures for synthetic drags,and molecular probes for biology ***,to understand the pharmacophore of bioactive natural products and to elucidate its molecular mechanism of action remain rate-limiting steps in advancing natural products ***,we reported the study of digging verucopeptin,a bioactive natural product from the formidable scaffold termed piperazic acid containing pyranylated cyclodepsipeptide(PA-PCDs) .The key structure features and molecular target of verucopeptin were dissected via integrated approaches of synthetic biology,analogue-oriented synthesis and image-based cytological profiling.

关键词： Verucopeptin Pharmacophore molecular target Integrated approaches

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Journal of Clinical and Translational Hepatology 2014年第4期2卷 253-258页

作者： Min Yao Li Wang Yao Yao Hong-Bing Gu Deng-Fu Yao Research Center of Clinical Medicine Affiliated Hospital of Nantong University Nantong Jiangsu China Department of Immunology Medical School of Nantong University Nantong Jiangsu China Department of Medical Informatics Medical School of Nantong University Nantong Jiangsu China The Hospital of Nantong Maternal and Child Care Service Nantong Jiangsu China Research Center of Clinical Medicine Affiliated Hospital of Nantong University Nantong Jiangsu China

Recently, microRNAs (miRNAs) have emerged as key factors involved in a series of biological processes, ranging from embryogenesis to programmed cell death. Its link to aberrant expression profiles has rendered it a potentially attractive tool for the diagnosis, prognosis, or treatment of various diseases. Accumulating evidence has indicated that miRNAs act as tumor suppressors in hepatocyte malignant transformation by regulating development, differentiation, proliferation, and tumorigenesis. Here, we summarize recent progress in the development of novel biomarker-based miRNA therapeutic strategies for hepatocellular carcinoma (HCC).

关键词： Hepatocellular carcinoma MicroRNA molecular target Therapy