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Article: Exploring the molecular mechanism of Gan Shuang granules for the treatment of non-alcoholic steatohepatitis using network pharmacology, molecular docking, and experimental verification.

Zhi, Guoguo / Shao, Bingjie / Zheng, Tianyan / Mu, Jie / Li, Jingwei / Feng, Yiyuan / Zhu, Sha / Dang, Yanni / Liu, Feng / Wang, Dong

Frontiers in pharmacology

2023 Volume 14, Page(s) 1082451

Abstract: Background: ...

Abstract	Background:
Language	English
Publishing date	2023-01-24
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2587355-6
ISSN	1663-9812
ISSN	1663-9812
DOI	10.3389/fphar.2023.1082451
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Article ; Online: Active post-transcriptional regulation and ACLY-mediated acetyl-CoA synthesis as a pivotal target of Shuang-Huang-Sheng-Bai formula for lung adenocarcinoma treatment.

Liu, Dan / Dong, Changsheng / Wang, Fengying / Liu, Wei / Jin, Xing / Qi, Sheng-Lan / Liu, Lei / Jin, Qiang / Wang, Siliang / Wu, Jia / Wang, Congcong / Yang, Jing / Deng, Haibin / Cai, Yuejiao / Yang, Lu / Qin, Jingru / Zhang, Chengcheng / Yang, Xi / Wang, Ming-Song /

Yu, Guanzhen / Xue, Yu-Wen / Wang, Zhongqi / Ge, Guang-Bo / Xu, Zhenye / Chen, Wen-Lian

Phytomedicine : international journal of phytotherapy and phytopharmacology

2023 Volume 113, Page(s) 154732

Abstract: ... provide a unique opportunity for improving LC treatment, and the Shuang-Huang-Sheng-Bai (SHSB) formula is ...

Abstract	Background: New therapeutic approaches are required to improve the outcomes of lung cancer (LC), a leading cause of cancer-related deaths worldwide. Chinese herbal medicine formulae widely used in China provide a unique opportunity for improving LC treatment, and the Shuang-Huang-Sheng-Bai (SHSB) formula is a typical example. However, the underlying mechanisms of action remains unclear. Purpose: This study aimed to confirm the efficacy of SHSB against lung adenocarcinoma (LUAD), which is a major histological type of LC, unveil the downstream targets of this formula, and assess the clinical relevance and biological roles of the newly identified target. Methods: An experimental metastasis mouse model and a subcutaneous xenograft mouse model were used to evaluate the anti-cancer activity of SHSB. Multi-omics profiling of subcutaneous tumors and metabolomic profiling of sera were performed to identify downstream targets, especially the metabolic targets of SHSB. A clinical trial was conducted to verify the newly identified metabolic targets in patients. Next, the metabolites and enzymes engaged in the metabolic pathway targeted by SHSB were measured in clinical samples. Finally, routine molecular experiments were performed to decipher the biological functions of the metabolic pathways targeted by SHSB. Results: Oral SHSB administration showed overt anti-LUAD efficacy as revealed by the extended overall survival of the metastasis model and impaired growth of implanted tumors in the subcutaneous xenograft model. Mechanistically, SHSB administration altered protein expression in the post-transcriptional layer and modified the metabolome of LUAD xenografts. Integrative analysis demonstrated that SHSB markedly inhibited acetyl-CoA synthesis in tumors by post-transcriptionally downregulating ATP-citrate lyase (ACLY). Consistently, our clinical trial showed that oral SHSB administration declined serum acetyl-CoA levels of patients with LC. Moreover, acetyl-CoA synthesis and ACLY expression were both augmented in clinical LUAD tissues of patients, and high intratumoral ACLY expression predicted a detrimental prognosis. Finally, we showed that ACLY-mediated acetyl-CoA synthesis is essential for LUAD cell growth by promoting G1/S transition and DNA replication. Conclusion: Limited downstream targets of SHSB for LC treatment have been reported in previous hypothesis-driven studies. In this study, we conducted a comprehensive multi-omics investigation and demonstrated that SHSB exerted its anti-LUAD efficacy by actively and post-transcriptionally modulating protein expression and particularly restraining ACLY-mediated acetyl-CoA synthesis.
MeSH term(s)	Humans ; Mice ; Animals ; ATP Citrate (pro-S)-Lyase/genetics ; ATP Citrate (pro-S)-Lyase/metabolism ; Acetyl Coenzyme A/metabolism ; Drugs, Chinese Herbal/pharmacology ; Adenocarcinoma of Lung/drug therapy ; Lung Neoplasms/drug therapy
Chemical Substances	ATP Citrate (pro-S)-Lyase (EC 2.3.3.8) ; Acetyl Coenzyme A (72-89-9) ; Drugs, Chinese Herbal
Language	English
Publishing date	2023-02-26
Publishing country	Germany
Document type	Journal Article
ZDB-ID	1205240-1
ISSN	1618-095X ; 0944-7113
ISSN (online)	1618-095X
ISSN	0944-7113
DOI	10.1016/j.phymed.2023.154732
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Article ; Online: Development of a UPLC-MS/MS method for the determination of active ingredients of Shuang Hu in rat blood and its application in pharmacokinetics.

Jiang, Xin Rui / Lei, Meng Ying / Qin, Liu Xin / Zhou, Yan Lin / Wang, Yang / Li, Xue Jian / Wang, Gang

Biomedical chromatography : BMC

2022 , Page(s) e5533

Abstract: ... to evaluate the pharmacokinetics of Shuang Hu tincture (SHZTN). Xevo TQ-S was used to analyze the active ...

Abstract	A simple and sensitive method using in vivo microdialysis coupled with UPLC-MS/MS was established to evaluate the pharmacokinetics of Shuang Hu tincture (SHZTN). Xevo TQ-S was used to analyze the active ingredients of mesaconitine, hypaconitine, 4-hydroxycinnamic acid, ferulic acid and N-(2, 3-dimethyl phenyl)-2- aminobenzoic acid of SHZTN. Samples were prepared using a methanol precipitation method and the internal standards lannaconitine and p-hydroxybenzoic acid were added. The method validation was conducted according to the guidelines of the Pharmacopoeia of China. A good linear range was obtained in the range of 1-2,000 ng/ml. The intra-day and inter-day precisions were less than 14.7%, and the accuracy range of all the analytes was -10.5-9.3%. The recovery of each analyte was over 95.5%, and matrix effects can be neglected. After a single dose of 20 mg/kg SHZTN, the area under the curve and peak concentration of the five active ingredients were significantly increased by transdermal compared with oral administration, which indicated the high bioavailability of SHZTN. The time to peak concentration of all compounds was <3.4 h, and the half-life was <15.4 h, which indicated that the five compounds have the best absorption and rapid elimination. The method was successfully developed and applied to the pharmacokinetic study of SHZTN.
Language	English
Publishing date	2022-10-20
Publishing country	England
Document type	Journal Article
ZDB-ID	632848-9
ISSN	1099-0801 ; 0269-3879
ISSN (online)	1099-0801
ISSN	0269-3879
DOI	10.1002/bmc.5533
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Article ; Online: A Comprehensive Review of Pharmacokinetics and Pharmacodynamics in Animals: Exploration of Interaction with Antibiotics of Shuang-Huang- Lian Preparations.

Liang, Liuyi / Jin, Xin / Li, Jinjing / Li, Rong / Jiao, Xinyi / Ma, Yuanyuan / Liu, Rui / Li, Zheng

Current topics in medicinal chemistry

2021 Volume 22, Issue 2, Page(s) 83–94

Abstract: As a traditional Chinese medicine (TCM), Shuang-Huang-Lian (SHL) has been widely used for treating ...

Abstract	As a traditional Chinese medicine (TCM), Shuang-Huang-Lian (SHL) has been widely used for treating infectious diseases of the respiratory tract such as encephalitis, pneumonia, and asthma. During the past few decades, considerable research has focused on pharmacological action, pharmacokinetic interaction with antibiotics, and clinical applications of SHL. A huge and more recent body of pharmacokinetic studies support the combination of SHL and antibiotics have different effects such as antagonism and synergism. SHL has been one of the best-selling TCM products. However, there is no systematic review of SHL preparations, ranging from protection against respiratory tract infections to interaction with antibiotics. Since their important significance in clinical therapy, the pharmacodynamics, pharmacokinetics, and interactions with antibiotics of SHL were reviewed and discussed. In addition, this review attempts to explore the possible potential mechanism of SHL preparations in the prevention and treatment of COVID-19. We are concerned about the effects of SHL against viruses and bacteria, as well as its interactions with antibiotics in an attempt to provide a new strategy for expanding the clinical research and medication of SHL preparations.
MeSH term(s)	Anti-Bacterial Agents/pharmacology ; Anti-Bacterial Agents/therapeutic use ; COVID-19 ; Drugs, Chinese Herbal/pharmacology ; Humans ; Medicine, Chinese Traditional ; SARS-CoV-2
Chemical Substances	Anti-Bacterial Agents ; Drugs, Chinese Herbal
Language	English
Publishing date	2021-10-11
Publishing country	United Arab Emirates
Document type	Journal Article ; Review
ZDB-ID	2064823-6
ISSN	1873-4294 ; 1568-0266
ISSN (online)	1873-4294
ISSN	1568-0266
DOI	10.2174/1568026621666211012111442
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Article ; Online: Combination of multi-model statistical analysis and quantitative fingerprinting in quality evaluation of Shuang-huang-lian oral liquid.

Si, Wei / Qiao, Yali / Liu, Zhe / Jin, Gaowa / Liu, Yanfang / Xue, Xingya / Zhou, Han / Liu, Yanming / Shen, Aijin / Liang, Xinmiao

Analytical and bioanalytical chemistry

2020 Volume 412, Issue 26, Page(s) 7073–7083

Abstract: ... was established to carry out quality control analysis of Shuang-huang-lian (SHL) oral liquid ...

Abstract	A model consisting of quantitative fingerprinting integrated with fundamental statistical analysis was established to carry out quality control analysis of Shuang-huang-lian (SHL) oral liquid. The quantitative fingerprinting approach was developed by systematic investigation of the chromatographic condition and optimization of a gradient using a complex sample analysis software system (CSASS). Five pivotal components from three traditional Chinese medicines of SHL oral liquid were determined at dual wavelengths, including phillyrin, baicalin, chlorogenic acid, neochlorogenic acid and cryptochlorogenic acid. Among them, neochlorogenic acid and cryptochlorogenic acid were quantified by quantitative analysis of multi-components with a single marker (QAMS) method. Further, the developed quantitative fingerprinting approach was validated. Good linearity with correlation coefficients (R
MeSH term(s)	Administration, Oral ; Chromatography, High Pressure Liquid/methods ; Drugs, Chinese Herbal/chemistry ; Drugs, Chinese Herbal/standards ; Models, Statistical ; Principal Component Analysis ; Quality Control
Chemical Substances	Drugs, Chinese Herbal ; shuang-huang-lian
Language	English
Publishing date	2020-08-18
Publishing country	Germany
Document type	Journal Article
ZDB-ID	201093-8
ISSN	1618-2650 ; 0016-1152 ; 0372-7920
ISSN (online)	1618-2650
ISSN	0016-1152 ; 0372-7920
DOI	10.1007/s00216-020-02841-z
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Article ; Online: Correction to: Combination of multi-model statistical analysis and quantitative fingerprinting in quality evaluation of Shuang-huang-lian oral liquid.

Si, Wei / Qiao, Yali / Liu, Zhe / Jin, Gaowa / Liu, Yanfang / Xue, Xingya / Zhou, Han / Liu, Yanming / Shen, Aijin / Liang, Xinmiao

Analytical and bioanalytical chemistry

2020 Volume 412, Issue 29, Page(s) 8223

Abstract: The authors would like to call the reader's attention to the fact that unfortunately there was a mistake in Table 1 of this contribution. ...

Abstract	The authors would like to call the reader's attention to the fact that unfortunately there was a mistake in Table 1 of this contribution.
Language	English
Publishing date	2020-10-01
Publishing country	Germany
Document type	Published Erratum
ZDB-ID	201093-8
ISSN	1618-2650 ; 0016-1152 ; 0372-7920
ISSN (online)	1618-2650
ISSN	0016-1152 ; 0372-7920
DOI	10.1007/s00216-020-02937-6
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Article: Network Pharmacology Analysis of Traditional Chinese Medicine Formula Shuang Di Shou Zhen Tablets Treating Nonexudative Age-Related Macular Degeneration.

Fang, Yue / Liu, Xinquan / Su, Jing

Evidence-based complementary and alternative medicine : eCAM

2021 Volume 2021, Page(s) 6657521

Abstract: ... age-related macular degeneration (dry AMD) based on a network pharmacological approach of Shuang Di Shou Zhen Tablets (SDSZT) and ...

Abstract	Objective: To analyze the pharmacological mechanism of the treatment of dry age-related macular degeneration (dry AMD) based on a network pharmacological approach of Shuang Di Shou Zhen Tablets (SDSZT) and to provide a new reference for the current lack of effective treatment of dry AMD. Methods: The main chemical constituents and their targets of Results: The main active ingredients of SDSZT for dry AMD treatment are quercetin, kaempferol, luteolin, Conclusion: This study initially reveals the multiconstituent, multitarget, and multipathway mechanism of action of SDSZT in the treatment of dry AMD and provides the basis for the clinical application of SDSZT.
Language	English
Publishing date	2021-03-24
Publishing country	United States
Document type	Journal Article
ZDB-ID	2171158-6
ISSN	1741-4288 ; 1741-427X
ISSN (online)	1741-4288
ISSN	1741-427X
DOI	10.1155/2021/6657521
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Article ; Online: Mechanism of Shuang-Huang-Lian Oral Liquid for Treatment of Mycoplasmal Pneumonia in Children on Network Pharmacology.

Shi, Ling / Wu, Qi-Guo / Zhang, Ju-Cheng / Yang, Guang-Ming / Liu, Wei / Wang, Ze-Feng

Combinatorial chemistry & high throughput screening

2020 Volume 23, Issue 9, Page(s) 955–971

Abstract: ... system immune damage, and mixed infection in children. The pathogenesis is still unclear. Shuang-Huang-Lian (SHL ...

Abstract	Background and objective: Mycoplasmal pneumonia (MP) can lead to inflammation, multiple system immune damage, and mixed infection in children. The pathogenesis is still unclear. Shuang-Huang-Lian (SHL) oral liquid can treat acute upper respiratory tract infection, acute bronchitis and light pneumonia. However, our current understanding of the molecular mechanisms supporting its clinical application still lags behind due to the lack of researches. It is difficult to understand the overall sensitization mechanism of SHL oral liquid. The purpose is to explain the mechanism of action of drugs in this study, which is useful to ensure the safety of medication for children. Methods: The therapeutic mechanism of SHL oral liquid was investigated by a system pharmacology approach integrating drug-likeness evaluation, oral bioavailability prediction, ADMET, protein-protein interaction worknet, Gene Ontology enrichment analysis, Kyoto Encyclopedia of Genes and Genomes database pathway performance, C-T-P network construction and molecular docking. Results: A total of 18 active ingredients contained in SHL oral liquid and 53 major proteins were screened out as effective players in the treatment of M. pneumoniae disease through some related pathways and molecular docking. The majority of targets, hubs and pathways were highly related to anti-mycoplasma therapy, immunity and inflammation process. Conclusion: This study shows that the anti-bacterial effect of SHL oral liquid has multicomponent, multi-target and multi-pathway phenomena. The proposed approach may provide a feasible tool to clarify the mechanism of traditional Chinese medicines and further develop their therapeutic potentials.
MeSH term(s)	Anti-Infective Agents/chemistry ; Anti-Infective Agents/pharmacokinetics ; Databases, Genetic ; Drug Evaluation, Preclinical ; Drugs, Chinese Herbal/chemistry ; Drugs, Chinese Herbal/pharmacokinetics ; Gene Expression Regulation/drug effects ; Gene Ontology ; Humans ; Medicine, Chinese Traditional ; Molecular Docking Simulation ; Pneumonia, Mycoplasma/drug therapy ; Protein Binding ; Respiratory Tract Infections/drug therapy ; Signal Transduction ; Small Molecule Libraries/chemistry ; Small Molecule Libraries/pharmacology
Chemical Substances	Anti-Infective Agents ; Drugs, Chinese Herbal ; Small Molecule Libraries ; shuang-huang-lian
Language	English
Publishing date	2020-05-14
Publishing country	United Arab Emirates
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2064785-2
ISSN	1875-5402 ; 1386-2073
ISSN (online)	1875-5402
ISSN	1386-2073
DOI	10.2174/1386207323666200514073428
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Article ; Online: Inhibition of Human UDP-Glucuronosyltransferases1A1-Mediated Bilirubin Glucuronidation by the Popular Flavonoids Baicalein, Baicalin, and Hyperoside Is Responsible for Herb (Shuang-Huang-Lian)-Induced Jaundice.

Yang, Xiaolei / Zhu, Guanghao / Zhang, Ying / Wu, Xubo / Liu, Bei / Liu, Ye / Yang, Qing / Du, Wandi / Liang, Jingru / Hu, Jiarong / Yang, Ping / Ge, Guangbo / Cai, Weimin / Ma, Guo

Drug metabolism and disposition: the biological fate of chemicals

2022 Volume 50, Issue 5, Page(s) 552–565

Abstract: ... are not well understood. The aim of this paper was to explore the mechanism of Shuang-huang-lian (SHL ...

Abstract	Bilirubin-related adverse drug reactions (ADRs) or malady (e.g., jaundice) induced by some herbs rich in certain flavonoids have been widely reported. However, the causes and mechanisms of the ADRs are not well understood. The aim of this paper was to explore the mechanism of Shuang-huang-lian (SHL) injections and its major constituents-induced jaundice via inhibiting human UDP-glucuronosyltransferases1A1 (hUGT1A1)-mediated bilirubin glucuronidation. The inhibitory effects of SHL and its major constituents in the herbal medicine, including baicalein (BAI), baicalin (BA), and hyperoside (HYP), on bilirubin glucuroBBREVInidation were investigated. This study indicated that the average formation rates of bilirubin glucuronides [i.e., mono-glucuronide 1 (BMG1), BMG2, and bilirubin diglucuronide] displayed significant differences
MeSH term(s)	Bilirubin ; Coptis chinensis ; Flavanones ; Flavonoids/pharmacology ; Glucuronides ; Glucuronosyltransferase ; Humans ; Jaundice ; Molecular Docking Simulation ; Quercetin/analogs & derivatives ; Uridine Diphosphate
Chemical Substances	Flavanones ; Flavonoids ; Glucuronides ; baicalin (347Q89U4M5) ; baicalein (49QAH60606) ; Uridine Diphosphate (58-98-0) ; hyperoside (8O1CR18L82) ; Quercetin (9IKM0I5T1E) ; Glucuronosyltransferase (EC 2.4.1.17) ; Bilirubin (RFM9X3LJ49)
Language	English
Publishing date	2022-03-03
Publishing country	United States
Document type	Journal Article
ZDB-ID	186795-7
ISSN	1521-009X ; 0090-9556
ISSN (online)	1521-009X
ISSN	0090-9556
DOI	10.1124/dmd.121.000714
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Article: Combination of multi-model statistical analysis and quantitative fingerprinting in quality evaluation of Shuang-huang-lian oral liquid

Si, Wei / Qiao, Yali / Liu, Zhe / Jin, Gaowa / Liu, Yanfang / Xue, Xingya / Zhou, Han / Liu, Yanming / Shen, Aijin / Liang, Xinmiao

Analytical and bioanalytical chemistry. 2020 Oct., v. 412, no. 26

2020

Abstract: ... was established to carry out quality control analysis of Shuang-huang-lian (SHL) oral liquid ...

Abstract	A model consisting of quantitative fingerprinting integrated with fundamental statistical analysis was established to carry out quality control analysis of Shuang-huang-lian (SHL) oral liquid. The quantitative fingerprinting approach was developed by systematic investigation of the chromatographic condition and optimization of a gradient using a complex sample analysis software system (CSASS). Five pivotal components from three traditional Chinese medicines of SHL oral liquid were determined at dual wavelengths, including phillyrin, baicalin, chlorogenic acid, neochlorogenic acid and cryptochlorogenic acid. Among them, neochlorogenic acid and cryptochlorogenic acid were quantified by quantitative analysis of multi-components with a single marker (QAMS) method. Further, the developed quantitative fingerprinting approach was validated. Good linearity with correlation coefficients (R²) higher than 0.9999 were achieved for phillyrin, baicalin and chlorogenic acid. Recoveries of the three analytes were between 96% and 108%. Relative standard deviation (RSD) values were below 3% regarding the stability and intra-day and inter-day precision. Besides, the feasibility of the QAMS method was verified by an external standard method (ESM) using 18 batches of SHL oral liquid. Fifty-nine batches of SHL oral liquid from nine manufacturers were then analyzed. Effective distinction was realized based on a linear principal component analysis (linear-PCA) model by the combination of the quantitative data and chromatographic fingerprinting. The linear-PCA model based on quantitative chromatographic fingerprinting exhibited great advantage over conventional similarity analysis to distinguish between different samples. The strategy provided a particularly simple and effective approach for quality evaluation of SHL oral liquid from various manufacturers. Graphical abstract
Keywords	analytical chemistry ; baicalin ; chemical species ; chlorogenic acid ; chromatography ; computer software ; liquids ; models ; principal component analysis ; quality control ; quantitative analysis ; standard deviation
Language	English
Dates of publication	2020-10
Size	p. 7073-7083.
Publishing place	Springer Berlin Heidelberg
Document type	Article
Note	NAL-AP-2-clean
ISSN	1618-2642
DOI	10.1007/s00216-020-02841-z
Database	NAL-Catalogue (AGRICOLA)

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