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Characterization of multiple chemical components of GuiLingJi by UHPLC-MS and ^(1)H NMR analysis

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Journal of Pharmaceutical Analysis 2022年第3期12卷 460-469页

作者： Jingchao Shi Xiaoxia Gao Airong Zhang Xuemei Qin guanhua du Modern Research Center for Traditional Chinese Medicine Shanxi UniversityTaiyuan030006China School of Traditional Chinese Materia Medica and Food Engineering Shanxi University of Chinese MedicineJinzhongShanxi030619China Shanxi Guangyuyuan Chinese Medicine Co. Ltd.JinzhongShanxi030800China Institute of Materia Medica Chinese Academy of Medical Sciences&Peking Union Medical CollegeBeijing100050China

GuiLingJi(GLJ),a classic traditional Chinese medicine(TCM)formula,is composed of over 20 herbs,according to the Pharmacopeia of the People's Republic of *** to its various activities,GLJ has been used in clinical settings for more than 400 years in ***,the ambiguous chemical material basis limits the development of studies on the quality control and pharmacological mechanisms of ***,comprehensive characterization of the multiple chemical components of GLJ is of great significance for the modernization of this *** the great variety of herbs in GLJ,both UHPLCMS and ^(1)H NMR techniques were employed in this *** addition,solvent extraction with different polarities was used to eliminate signal interference and the concentration of trace components.A variety of MS analytic methods were also used,including implementation of a self-built compound database,diagnostic ion filtering,mass defect filtering,and Compound Discoverer 3.0 analysis *** on the above strategies,a total of 150 compounds were identified,including 5 amino acids,13 phenolic acids and glycosides,11 coumarins,72 flavones,20 triterpenoid and triterpenoid saponins,23 fatty acids,and 6 other ***,13 compounds were identified by ^(1)H NMR *** UHPLC-MS and ^(1)H NMR results supported and complemented each *** strategy provides a rapid approach to analyzing and identifying the chemical composition of Chinese herbal *** current study provides basis for further research on the quality control and pharmacological mechanism of GLJ.

关键词： GuiLingJi Chemical component UHPLC-MS ^(1)H NMR Traditional Chinese medicine

Author correction to‘Protective effects of VMY-2-95 on corticosterone-induced injuries in mice and cellular models’[Acta Pharmaceutica Sinica B 11(2021)1903-1913]

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Acta Pharmaceutica Sinica B 2023年第8期13卷 899-901页

The authors regret that there was a picture error in Fig.5F owing to the inappropriate data statistics—forgetting gating when data collecting and a picture error in Fig.6F owing to the data copy mistake when drawing ... 详细信息

关键词： correction injuries getting

Radix Paeoniae Alba attenuates Radix Bupleuri-induced hepatotoxicity by modulating gut microbiota to alleviate the inhibition of saikosaponins on glutathione synthetase

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Journal of Pharmaceutical Analysis 2023年第6期13卷 640-659页

作者： Congcong Chen Wenxia Gong Junshen Tian Xiaoxia Gao Xuemei Qin guanhua du Yuzhi Zhou Modern Research Center for Traditional Chinese Medicine The Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of EducationShanxi UniversityTaiyuan030006China Key Laboratory of Effective Substances Research and Utilization in TCM of Shanxi Province Shanxi UniversityTaiyuan030006China Institute of Materia Medica Chinese Academy of Medical Sciences&Peking Union Medical CollegeBeijing100050China

Radix Bupleuri(RB)is commonly used to treat depression,but it can also lead to hepatotoxicity after longterm *** many anti-depression prescriptions,RB is often used in combination with Radix Paeoniae Alba(RPA)as an herb ***,whether RPA can alleviate RB-induced hepatotoxicity remain *** this work,the results confirmed that RB had a dose-dependent antidepressant effect,but the optimal antidepressant dose caused ***,RPA effectively reversed RB-induced ***,the mechanism of RB-induced hepatotoxicity was *** results showed that saikosaponin A and saikosaponin D could inhibit GSH synthase(GSS)activity in the liver,and further cause liver injury through oxidative stress and nuclear factor kappa B(NF-kB)/NOD-like receptor thermal protein domain associated protein 3(NLRP3)***,the mechanisms by which RPA attenuates RBinduced hepatotoxicity were *** results demonstrated that RPA increased the abundance of intestinal bacteria with glycosidase activity,thereby promoting the conversion of saikosaponins to saikogenins in *** from saikosaponin A and saikosaponin D,which are directly combined with GSS as an inhibitor,their deglycosylation conversion products saikogenin F and saikogenin G exhibited no GSS binding *** on this,RPA can alleviate the inhibitory effect of saikosaponins on GSS activity to reshape the liver redox balance and further reverse the RB-induced liver inflammatory response by the NFkB/NLRP3 *** conclusion,the present study suggests that promoting the conversion of saikosaponins by modulating gut microbiota to attenuate the inhibition of GSS is the potential mechanism by which RPA prevents RB-induced hepatotoxicity.

关键词： Radix Bupleuri Radix Paeoniae Alba Hepatotoxicity Gut microbiota Saikosaponins Combination mechanisms

3-O-Acetyl-11-keto-β-boswellic acid ameliorated aberrant metabolic landscape and inhibited autophagy in glioblastoma

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Acta Pharmaceutica Sinica B 2020年第2期10卷 301-312页

作者： Wan Li Liwen Ren Xiangjin Zheng Jinyi Liu Jinhua Wang Tengfei Ji guanhua du The State Key Laboratory of Bioactive Substance and Function of Natural Medicines Institute of Materia MedicaChinese Academy of Medical Science and Peking Union Medical CollegeBeijing 100050China Key Laboratory of Drug Target Research and Drug Screen Institute of Materia MedicaChinese Academy of Medical Science and Peking Union Medical CollegeBeijing 100050China

Glioblastoma is the most common and aggressive primary tumor in the central nervous system,accounting for 12%-15%of all brain tumors.3-O-Acetyl-11-keto-β-boswellic acid(AKBA),one of the most active ingredients of gum resin from Boswellia carteri Birdw.,was reported to inhibit the growth of glioblastoma cells and subcutaneous ***,whether AKBA has antitumor effects on orthotopic glioblastoma and the underlying mechanisms are still *** orthotopic mouse model was used to evaluate the anti-glioblastoma effects of *** effects of AKBA on tumor growth were evaluated using *** effects on the alteration of metabolic landscape were detected by *** underlying mechanisms of autophagy reducing by AKBA treatment were determined by immunoblotting and immunofluorescence,*** electron microscope was used to check morphology of cells treated by *** results showed that AKBA(100 mg/kg)significantly inhibited the growth of orthotopic U87-MG *** from MALDI-MSI showed that AKBA improved the metabolic profile of mice with glioblastoma,while immunoblot assays revealed that AKBA suppressed the expression of ATG5,p62,LC3 B,p-ERK/ERK,and P53,and increased the ratio of p-mTOR/*** together,these results suggested that the antitumor effects of AKBA were related to the normalization of aberrant metabolism in the glioblastoma and the inhibition of *** could be a promising chemotherapy drug for glioblastoma.

关键词： Glioblastoma AKBA MALDI-MSI Phospholipids Autophagy

Synthesis of Chaicone Derivatives Containing Furan or/and Pyran Ring as Neuraminidase Inhibitors

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Chemical Research in Chinese Universities 2019年第3期35卷 395-402页

作者： CHEN Aiyu LIANG Yongdong YE Jiao HU Aixi LIAN Wenwen LIU Ailin du guanhua College of Chemistry and Chemical Engineering Hunan UniversityChangsha 410082P.R.China Institute of Materia Medica Chinese Academy of Medical Sciences & Peking Union Medical College Beijing 100050P.R.China

Twenty-seven novel chaicone derivatives were designed and synthesized as neuraniinidase(NA) inhibitors. A concise suitable synthetic strategy was employed in the target compounds? synthesis with relatively high yields. The synthesized compounds were evaluated for their inhibitory activities against the NA of influenza A virus in vitro. The results show that compound 9b possesses the most potent NA inhibitory activity. Structure-activity relationship studies indicate that the chaicone system and hydrogen bond donor substituent are significant for the NA inhibitory activity. And the chaicone derivatives containing pyran ring have better NA inhibitory activity than those without the pyran ring. In addition, molecular docking studies reveal that compounds 9b and 9u are in the good binding mode with Zanamivir binding sites. This study indicates that compound 9b could be selected as a potent compoxind for further structural optimization and development of novel NA inhibitors.

关键词： Chaicone derivative Neuraminidase inhibitor Molecular docking

MELK is an oncogenic kinase essential for metastasis,mitotic progression,and programmed death in lung carcinoma

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Signal Transduction and Targeted Therapy 2021年第1期6卷 83-94页

作者： Qin Tang Wan Li Xiangjin Zheng Liwen Ren Jinyi Liu Sha Li Jinhua Wang guanhua du The State Key Laboratory of Bioactive Substance and Function of Natural Medicines BeijingChina Key Laboratory of Drug Target Research and Drug Screen Institute of Materia MedicaChinese Academy of Medical Science and Peking Union Medical College100050 BeijingChina

Lung cancer is the fastest growth rate of morbidity and mortality in nearly a decade,and remains difficult to ***,the molecular mechanisms underlying its development are still *** this study,bioinformatics analysis showed that MELK was highly expressed in lung cancer and negatively correlated to the survival of lung adenocarcinoma(LUAD).Immunohistochemistry analysis of LUAD patient tissues revealed there were a high level of MELK expression in *** of MELK expression inhibits the migration and invasion of LUAD cells,which may be mediated by Twist1,Slug,MMP7,and *** of MELK promoted the growth of LUAD cells in medium,3D Matrigel,and nude *** of MELK by OTSSP167 arrested cycle of LUAD cells at G2/M phase via PLK1-CDC25C-CDK1 pathway,and triggered apoptosis-mediated ***,these data indicate that MELK is critical for metastasis,mitotic progression,and programmed death of LUAD and may be a promising therapeutic target for LUAD.

关键词： metastasis PLK1 lung

Bexarotene combined with lapatinib for the treatment of Cushing’s disease:evidence based on drug repositioning and experimental confirmation

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Signal Transduction and Targeted Therapy 2020年第1期5卷 988-990页

作者： Haoying Yu Shuyue Ren Jingrong Wang Tingting Lv Lan Sun guanhua du Institute of Materia Medica Chinese Academy of Medical Science and Peking Union Medical College1 Xian Nong Tan Street100050 BeijingChina Beijing Key Laboratory of Drug Targets Identification and Drug Screening 100050 BeijingChina The State Key Laboratory of Bioactive Substance and Function of Natural Medicines 1 Xian Nong Tan Street100050 BeijingChina

Dear Editor,Cushing’s disease(CD)is a rare disease manifested as Cushing’s syndrome caused by adrenocorticotropic hormone(ACTH)consistently over-secreted by adrenocorticotropic adenomas,followed by stimulation of the adrenal gland to secrete considerable cortisol,triggering metabolic dysfunction,and leading to death from ***,pituitary adrenocorticotropic adenoma-directed drugs can only inhibit ACTH secretion or hamper tumour growth,which limits their clinical ***,Nur77(also known as NR4A1 and NGFI-Ba,a kind of nuclear receptor),an important positive transcription regulator of pro-opiomelanocortin(POMC),the precursor of ACTH,has been regarded as a promising CD target.1 Hence,it would be promising to identify a combination treatment that targets Nur77 and another CD target to cover hormone normalisation in the short term and tumour suppression or even elimination in the long term.

关键词： Cushing drugs treatment

Ganglioside GD3 synthase(GD3S),a novel cancer drug target

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Acta Pharmaceutica Sinica B 2018年第5期8卷 713-720页

作者： Jinyi Liu Xiangjin Zheng Xiaocong Pang Li Li Jinhua Wang Cui Yang guanhua du Ethnic Drug Screening & Pharmacology Center Key Laboratory of Chemistry in Ethnic Medicinal Resources State Ethnic Affairs Commission & Ministry of Education Yunnan Minzu University Key Laboratory of Drug Target Research and Drug Screen Institute of Materia Medica Chinese Academy of Medical Science and Peking Union Medical College The State Key Laboratory of Bioactive Substance and Function of Natural Medicines Institute of Materia Medica Chinese Academy of Medical Science and Peking Union Medical College

Gangliosides are a class of important glycosphingolipids containing sialic acid that are widely distributed on the outer surface of cells and are abundantly distributed in brain tissue. Disialoganglioside with three glycosyl groups(GD3) and disialoganglioside with two glycosyl groups(GD2) are markedly increased in pathological conditions such as cancers and neurodegenerative diseases. GD3 and GD2 were found to play important roles in cancers by mediating cell proliferation, migration, invasion, adhesion,angiogenesis and in preventing immunosuppression of tumors. GD3 synthase(GD3S) is the regulatory enzyme of GD3 and GD2 synthesis, and is important in tumorigenesis and the development of *** study of GD3S as a drug target may be of great significance for the discovery of new drugs for cancer treatment. This review will describe the gangliosides and their roles in physiological and pathological conditions; the roles of GD3 and GD2 in cancers; the expression, functions and mechanisms of GD3S,and its potential as a drug target in cancers.

关键词： Ganglioside GD3 GD2 GD3S Drug target Cancer treatment

Inhibition of FOXO3a/BIM signaling pathway contributes to the protective effect of salvianolic acid A against cerebral ischemia/reperfusion injury

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Acta Pharmaceutica Sinica B 2019年第3期9卷 505-515页

作者： Junke Song Wen Zhang Jinhua Wang Haiguang Yang Qimeng Zhou Haigang Wang Li Li guanhua du State Key Laboratory of Bioactive Substances and Functions of Natural Medicines Institute of Materia MedicaChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijing100050China Beijing Key Laboratory of Drug Target Identification and Drug Screening Institute of Materia MedicaChinese Academy of MedicalSciences and Peking Union Medical CollegeBeijing100050China

Salvianolic acid A(SalA) is an effective compound extracted from traditional Chinese medicine Salvia miltiorrhiza Bunge. The Forkhead box O3a(FOXO3a) signaling pathway plays crucial roles in the modulation of ischemia-induced cell apoptosis. However, no information about the regulatory effect of SalA on FoxO3a is available. To explore the anti-cerebral ischemia effect and clarify the therapeutic mechanism of SalA, SH-SY5Y cells and Sprague–Dawley rats were applied, which were exposed to oxygen glucose deprivation/reoxygenation(OGD/R) and middle cerebral artery occlusion/reperfusion(MCAO/R) injuries, respectively. The involved pathway was identified using the specific inhibitor LY294002. Results showed that SalA concentration-dependently inhibited OGD/R injury triggered cell viability loss. SalA reduced cerebral infarction, lowered brain edema, improved neurological function, and inhibited neuron apoptosis in MCAO/R rats, which were attenuated by the treatment of phosphatidylinositol-4,5-bisphosphate 3-kinase(PI3K) specific inhibitor LY294002. SalA time-and concentration-dependently upregulated the phosphorylation levels of protein kinase B(AKT) and its downstream protein FOXO3a. Moreover, the nuclear translocation of FOXO3a was inhibited by SalA both in vivo and in vitro, which was also reversed by LY294002. The above results indicated that SalA fought against ischemia/reperfusion damage at least partially via the AKT/FOXO3a/BIM pathway.

关键词： Salvianolic acid A Ischemia reperfusion FOXO3a BIM Neuroprotection