New opportunities and challenges of natural products research: When target identification meets single-cell multiomics

Acta Pharmaceutica Sinica B, Год журнала: 2022, Номер 12(11), С. 4011 - 4039

Опубликована: Авг. 27, 2022

Язык: Английский

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Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19

Proceedings of the National Academy of Sciences, Год журнала: 2023, Номер 120(18)

Опубликована: Апрель 24, 2023

The coronavirus disease 2019 (COVID-19) pandemic is an ongoing global health concern, and effective antiviral reagents are urgently needed. Traditional Chinese medicine theory-driven natural drug research development (TCMT-NDRD) a feasible method to address this issue as the traditional formulae have been shown in treatment of COVID-19. Huashi Baidu decoction (Q-14) clinically approved formula for COVID-19 therapy with anti-inflammatory effects. Here, integrative pharmacological strategy was applied identify bioactive compounds from Q-14. Overall, total 343 chemical were initially characterized, 60 prototype Q-14 subsequently traced plasma using ultrahigh-performance liquid chromatography quadrupole time-of-flight mass spectrometry. Among compounds, six (magnolol, glycyrrhisoflavone, licoisoflavone A, emodin, echinatin, quercetin) identified showing dose-dependent inhibition effect on SARS-CoV-2 infection, including two inhibitors (echinatin main protease (Mpro), well (glycyrrhisoflavone A) RNA-dependent RNA polymerase (RdRp). Meanwhile, three components, licochalcone B, SARS-CoV-2-infected inflammatory cell model. In addition, glycyrrhisoflavone A also displayed strong inhibitory activities against cAMP-specific 3',5'-cyclic phosphodiesterase 4 (PDE4). Crystal structures PDE4 complex or determined at resolutions 1.54 Å 1.65 Å, respectively, both bind active site similar interactions. These findings will greatly stimulate study TCMT-NDRD

Язык: Английский

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ETCM v2.0: An update with comprehensive resource and rich annotations for traditional Chinese medicine

Acta Pharmaceutica Sinica B, Год журнала: 2023, Номер 13(6), С. 2559 - 2571

Опубликована: Март 22, 2023

Existing traditional Chinese medicine (TCM)-related databases are still insufficient in data standardization, integrity and precision, need to be updated urgently. Herein, an Encyclopedia of Traditional Medicine version 2.0 (ETCM v2.0, http://www.tcmip.cn/ETCM2/front/#/) was constructed as the latest curated database hosting 48,442 TCM formulas recorded by ancient medical books, 9872 patent drugs, 2079 medicinal materials 38,298 ingredients. To facilitate mechanistic research new drug discovery, we improved target identification method based on a two-dimensional ligand similarity search module, which provides confirmed and/or potential targets each ingredient, well their binding activities. Importantly, five formulas/Chinese drugs/herbs/ingredients with highest Jaccard scores submitted drugs offered ETCM may significance identify prescriptions/herbs/ingredients similar clinical efficacy, summarize rules prescription use, find alternative for endangered materials. Moreover, v2.0 enhanced JavaScript-based network visualization tool creating, modifying exploring multi-scale biological networks. major warehouse quality marker TCMs, TCM-derived discovery repurposing, pharmacological mechanism investigation TCMs against various human diseases.

Язык: Английский

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Multimodal integrated strategy for the discovery and identification of quality markers in traditional Chinese medicine

Journal of Pharmaceutical Analysis, Год журнала: 2022, Номер 12(5), С. 701 - 710

Опубликована: Май 17, 2022

With the modernization and internationalization of traditional Chinese medicine (TCM), requirement for quality control has increased. The marker (Q-marker) is an important standard in this field been implemented with remarkable success recent years. However, establishment Q-markers remains fragmented process lacks systematicity, resulting inconsistent insufficient correlation clinical efficacy safety TCM. This review introduces four multimodal integrated approaches that contribute to discovery more comprehensive accurate Q-markers, thus aiding new patterns based on characteristics principles These include whole-process strategy, chemical-activity-based screening method, efficacy, safety, consistent combination TCM theory-guided approach. Furthermore, methodologies representative examples these strategies are described, future directions questions also proposed.

Язык: Английский

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Sophflarine A, a novel matrine-derived alkaloid from Sophora flavescens with therapeutic potential for non-small cell lung cancer through ROS-mediated pyroptosis and autophagy

Phytomedicine, Год журнала: 2023, Номер 116, С. 154909 - 154909

Опубликована: Май 29, 2023

Язык: Английский

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Efficacy and mechanism of the Ermiaosan Series of Formulas for rheumatoid arthritis based on chinmedomics strategy

Phytomedicine, Год журнала: 2024, Номер 132, С. 155903 - 155903

Опубликована: Июль 22, 2024

Язык: Английский

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Progress in traditional Chinese medicine against chronic gastritis: From chronic non-atrophic gastritis to gastric precancerous lesions

Heliyon, Год журнала: 2023, Номер 9(6), С. e16764 - e16764

Опубликована: Май 27, 2023

Chronic gastritis (CG) is a persistent inflammation of the gastric mucosa that can cause uncomfortable symptoms in patients. Traditional Chinese medicine (TCM) has been widely used to treat CG due its precise efficacy, minimal side effects, and holistic approach. Clinical studies have confirmed effectiveness TCM treating CG, although mechanisms underlying this treatment not yet fully elucidated. In review, we summarized clinical research CG. Studies shown for include H. pylori eradication, anti-inflammatory immune modulation, regulation mucosal cell proliferation, apoptosis, autophagy levels.

Язык: Английский

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TCMFP: a novel herbal formula prediction method based on network target’s score integrated with semi-supervised learning genetic algorithms

Briefings in Bioinformatics, Год журнала: 2023, Номер 24(3)

Опубликована: Март 20, 2023

Abstract Traditional Chinese medicine (TCM) has accumulated thousands years of knowledge in herbal therapy, but the use formulas is still characterized by reliance on personal experience. Due to complex mechanism actions, it challenging discover effective for diseases integrating traditional experiences and modern pharmacological mechanisms multi-target interactions. In this study, we propose a formula prediction approach (TCMFP) combined therapy experience TCM, artificial intelligence network science algorithms screen optimal efficiently, which integrates herb score (Hscore) based importance targets, pair (Pscore) empirical learning predictive (FmapScore) intelligent optimization genetic algorithm. The validity Hscore, Pscore FmapScore was verified functional similarity topological evaluation. Moreover, TCMFP used successfully generate formulae three diseases, i.e. Alzheimer’s disease, asthma atherosclerosis. Functional enrichment analysis indicates efficacy targets predicted formula. proposed may provides new strategy formula, TCM herbs drug development.

Язык: Английский

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Role of Curcuma longae Rhizoma in medical applications: research challenges and opportunities

Frontiers in Pharmacology, Год журнала: 2024, Номер 15

Опубликована: Авг. 6, 2024

Curcuma longae Rhizoma, commonly known as turmeric, is extensively utilized not only in Traditional Chinese Medicine (TCM) but also across various traditional medicine systems worldwide. It renowned for its effectiveness removing blood stasis, promoting circulation, and relieving pain. The primary bioactive metabolites of Rhizoma-curcumin, β-elemene, curcumol, curdione-have been studied their pharmacological benefits. These include anti-tumor properties, cardiovascular cerebrovascular protection, immune regulation, liver roles analgesics, anti-inflammatories, antivirals, antibacterials, hypoglycemics, antioxidants. This review critically examines the extensive body research regarding mechanisms action which engages multiple molecular targets signaling pathways such NF-κB, MAPKs, PI3K/AKT. core objective this to assess how main active turmeric interact with these achieve therapeutic outcomes clinical settings. Furthermore, we discuss challenges related bioavailability explore potential methods enhance effects. By doing so, aims provide fresh insights into optimization Rhizoma broader applications.

Язык: Английский

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Molecular mechanisms of isoflavone puerarin against cardiovascular diseases: What we know and where we go

Chinese Herbal Medicines, Год журнала: 2022, Номер 14(2), С. 234 - 243

Опубликована: Март 23, 2022

Puerarin (Pue), known as a phytoestrogen, has salient bioactivities and is promising against cardiovascular diseases. This article summarizes the underlying molecular mechanisms of Pue in treating diseases, especially regulating intracellular signal transduction, influencing ion channels, modulating expression microRNA, impacting on autophagy, which are mainly involved inflammatory signaling pathways, fatty acid/lipid metabolism, oxidative stress, apoptosis, like. The protective effect diseases involves attenuating myocardial injury decreasing fibrosis, improving ischemia/reperfusion injury, well inhibiting hypertrophy atherosclerosis. Pue's effects for first time comment state-of-the-art research methods principles regulation small molecules were reviewed, so to provide rationale its basic clinical applications.

Язык: Английский

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