Herbal Compounds Research Articles

Machine learning model for antiproliferative virtual screening of herbal compounds against hepatocellular carcinoma

Machine learning (ML) has been applied to virtual screening in discovering novel antiproliferative agents against hepatocellular carcinoma (HCC) from bioactive herbal compounds. ML models that have been performed to predict activities were constructed using extended connectivity fingerprints up to four bonds (ECFP4) to represent molecule structures. The dataset, consisting of 5,460 molecules with antiproliferative activity against HepG2, was obtained from the ChEMBL database. An evaluation of several algorithms on the primary dataset revealed that random forest gave the best model, both regression and classification performance, with coefficient determinations of 0.803 and 0.954, respectively. Virtual screening results identified some bioactive compounds from the medicinal plants that are predicted to have potential activities as antiproliferation. This action can reduce the number of chemical samples that will be tested in the wet lab using HepG2 cells as an in vitro assay model. Along these lines, this action will reduce trial and error so there will be more function in time, cost, and exertion in disclosing anticancer medications.

Herbal medicine in the management of renal disease: A comprehensive review of its potential for acute kidney injury, chronic kidney disease, diabetic nephropathy, and hypertension

Each year, a considerable number of individuals are diagnosed with potentially life-threatening renal failure, encompassing acute kidney injury (AKI) and chronic kidney disease (CKD). New natural herbal compounds, whether used in isolation or combined with medical treatments and an appropriate regime, have been suggested for the management of renal failure. The etiology of AKI remains uncertain; nevertheless, several factors have been proposed as potential causative agents that can lead to renal failure, including renal ischemia-reperfusion injury (IRI), nephrotoxicity, sepsis, administration of radiocontrast agents, and exposure to heavy metal ions. Several commonly utilized herbs with anti-diabetic and antihypertensive properties, known for their antioxidant, anti-inflammatory, and vasorelaxant effects, have been recognized as efficacious therapeutic agents in the management of CKD. The management of renal failure typically involves treating the underlying diseases, such as IRI, sepsis, and diabetes. However, if addressing the root cause is not possible, the focus shifts to managing complications like hypertension and proteinuria.

Study on Computer Screening and Drug Properties of Herbs Intervening in Copper Death.

The objective of this study was to explore the medicinal properties of herbal medicines that can interfere with the copper death pathway. The Human Gene Database, Chemical Interactions in Comparative Toxicogenomics Database, Encyclopedia of Traditional Chinese Medicine, China Medical Information Platform, and Cytoscape software were used to find target and chemicals that interfere with copper death targets, as well as herbal medicines containing these chemicals and their four natures and five flavors (basic properties of herbal medicines). 27 copper death-related targets were finally retrieved, as well as 2143 chemicals that could interfere with them, including 180 herbal compounds. The compounds with the highest degree values (number of nodes connected to this node) were folic acid, resveratrol, and quercetin. The 180 compounds were related to 278 herbs; those with the highest degree values (number of nodes connected to this node) were Jujubae Fructus, Ginkgo biloba L, and Acanthopanax senticosus. The 27 copper death targets were indirectly associated with 278 herbs; those with the highest degree values (number of nodes connected to this node) were Achyranthis Bidentatae Radix, Polygonum cuspidatum Sieb. et Zucc, and Mori Folium. Among the 278 herbs, 6 had incomplete information. A pharmacological analysis showed that among the 272 Chinese herbs, the most frequent meridians were the liver (133), lung (104), and spleen (91). Of the four natures, the most frequent were cold (73), warm (68), and flat (45). Of the five flavors, the most frequent were bitter (165), pungent (116), and sweet (99). This study preliminarily discussed the material basis and medicinal properties of herbs that can intervene in copper death, which can provide reference for the theoretical discussion, drug development, and clinical research of Chinese medicine regulating copper death.

Preparation, Characterization and Application of Niosomes for the Delivery of Herbal Bioactive Agents: A Mini Review

The demands of herbal products including Nutraceuticals, cosmetics and drugs increased tremendously globally in recent times. Herbal compounds offer limited toxicity, high biocompatibility with numerous health benefits. The herbal drugs show many health benefits due to their presence of bioactive compounds in it. However, bioactive compounds suffer due to their poor solubility, poor bioavailability and stability. Niosomes, a non-ionic surfactant vesicle, can be a promising aspect to deliver the bioactive compound to enhance the bioavailability and stability. Niosomes have many advantages as it enables encapsulation of either hydrophilic and hydrophobic compounds. Preparation methods of niosomes are also simple and inexpensive. Moreover, encapsulating bioactive compounds in niosome not only improve the bioavailability but also enable it for sustained release or controlled release drug delivery. The review highlights various methods for niosome preparation, including thin-film hydration, reverse-phase evaporation, ether injection, microfluidization and bubble methods along with their advantages and disadvantages. Additionally, the characterization techniques, such as size determination, zeta potential measurement, and morphological evaluation, are also discussed.

Therapeutic Implications of Some Natural Products for Neuroimmune Diseases: A Narrative of Clinical Studies Review.

Neuroimmune diseases are a group of disorders that occur due to the dysregulation of both the nervous and immune systems, and these illnesses impact tens of millions of people worldwide. However, patients who suffer from these debilitating conditions have very few FDA-approved treatment options. Neuroimmune crosstalk is important for controlling the immune system both centrally and peripherally to maintain tissue homeostasis. This review aims to provide readers with information on how natural products modulate neuroimmune crosstalk and the therapeutic implications of natural products, including curcumin, epigallocatechin-3-gallate (EGCG), ginkgo special extract, ashwagandha, Centella asiatica, Bacopa monnieri, ginseng, and cannabis to mitigate the progression of neuroimmune diseases, such as Alzheimer's disease, multiple sclerosis, amyotrophic lateral sclerosis, Parkinson's disease, depression, and anxiety disorders. The majority of the natural products based clinical studies mentioned in this study have yielded positive results. To achieve the expected results from natural products based clinical studies, researchers should focus on enhancing bioavailability and determining the synergistic mechanisms of herbal compounds and extracts, which will lead to the discovery of more effective phytomedicines while averting the probable negative effects of natural product extracts. Therefore, future studies developing nutraceuticals to mitigate neuroimmune diseases that incorporate phytochemicals to produce synergistic effects must analyse efficacy, bioavailability, gut-brain axis function safety, chemical modifications, and encapsulation with nanoparticles.

Network meta-analysis of the compensatory effect of different Chinese herbal compounds combined with Entecavir in the treatment of hepatitis B cirrhosis

Hui-Wen Zheng and Yang Zheng co-wrote the article, Tie-Jian Zhao provided the article ideas and revised and polished the article, Wen-Xing He and Can-Li Xu conducted literature search and data collation, Rui-Wen Xu and Jia-Xi He conducted literature screening, Jia-Hui Wang made the stata diagram.

Pharmacognostical and Pharmaceutical Analysis of Ketakyadi Taila-an Ayurvedic Herbomineral Formulation for Manyastambha (Cervical Spondylosis)

Background: Ketakyadi Taila is mentioned by Acharya Chakradutta as a drug for the management of Asthigatavata. So for initialization of standardization and assurance of the quality of herbal compounds pharmacognostical and pharmaceutical analysis should be done. Methods: Ketakyadi Taila was subjected to microscopic evaluation for pharmacognostical and physicochemical analysis like Loss on drying, Specific gravity, Saponification, Refractive index, Acid value and High-performance thin layer chromatography (HPTLC). Results: Pharmacognostical study showed the presence of certain identifying characters of all the ingredients of Ketakyadi Taila like Ketaki, Nagbala, Atibala. In pharmaceutical study, preliminary physiochemical analysis showed that loss on drying 0.0925%w/w, specific gravity 0.9174 at room temperature, acid value 4.84 w/w, saponification 185.9 w/w, refractive index 1.4609 and HPTLC showed 4 spots in 254 nm and 3 spots in 366 nm. Conclusions: Pharmacognostical and physico-chemical observations revealed the specific characteristics of all active constituents of Ketakyadi Taila and confirmed the purity and genuinity of the drug.

Phytosomes: A Promising Nanocarrier for Enhanced Delivery of Herbal Compounds in Cancer Therapy

Cancer is a life-threatening disease that remains a global health problem, with millions of people diagnosed yearly. Despite significant progress in cancer treatment, conventional chemotherapy still faces several limitations, including poor solubility, low bioavailability, lack of selectivity, and severe side effects. Therefore, alternative therapeutic strategies are necessary to improve cancer therapy. This review aimed to provide an updated overview of phytosome complexes and their potential application in cancer therapy, including their formulation techniques, transportation mechanism through phytosome, and recent investigations on their efficacy in treating different types of cancers. In recent years, nanotechnology has emerged as a promising approach to cancer therapy, as it enables the delivery of therapeutic agents to the tumor site with higher selectivity and efficiency. Phytosomes are a nanotechnology-based drug delivery system conjugating plant extracts or phytoconstituents with phospholipids. This conjugation results in the formation of a complex with improved solubility, stability, and bioavailability. Phytosomes have been shown to enhance the pharmacokinetic profile of phytoactive compounds, allowing for better targeting and sustained release. Phytosomes of curcumin, resveratrol, and quercetin have demonstrated anticancer properties in various in vitro and in vivo models. Moreover, phytosomes have been used to deliver chemotherapeutic agents, such as paclitaxel, docetaxel, and camptothecin, with improved efficacy and reduced toxicity. Phytosome complexes offer a promising platform for cancer therapy due to their ability to enhance the bioavailability and efficacy of phytoactive compounds. Incorporating phytosomes in cancer therapy could lead to the development of more effective and less toxic treatments for different types of cancers. Further studies are needed to elucidate the mechanism of action of phytosomes and to optimize their formulation for clinical use.

The localization of the alkaloids in Coptis chinensis rhizome by time-of-flight secondary ion mass spectrometry.

Understanding the spatial distribution of active compounds can effectively evaluate the quality of decoction pieces of traditional Chinese medicine (TCM). Traditional methods are economical and practical but lack chemical information on the original distribution. Time-of-flight secondary ion mass spectrometry (TOF-SIMS), with the advantage of non-destructive detection of samples, can directly analyze the distribution of chemical compounds on the surface of various samples. In this study, TOF-SIMS image analysis technology was used to detect TCM for the first time. Taking Coptis rhizome (CR) as an example, a commonly used TCM, the distribution of the compounds in the cross-section of CR was studied. Meanwhile, ultra-high-performance liquid chromatography coupled with triple quadrupole mass spectrometry (UPLCQQQ-MS/MS) was used to verify the results of TOF-SIMS. The distribution of nine active compounds: berberine, epiberberine, coptisine, palmatine, columbamine, jatrorrhizine, tetrahydricheilanthifolinium, and oxyberberine, was well imaged in the cross-section of CR by TOF-SIMS. The content of berberine and epiberberine was the highest; Palmatine distribution in the pith was more than that in other parts; Oxyberberine was mainly concentrated in the cork and xylem rays. Normalization analysis showed contents of these compounds increased along with the growth years. The result was consistent with UPLC-QQQ-MS/MS. The TOF-SIMS method can display the spatial distribution status of the active compounds of herbs, providing a basis for selecting the medicine site with non-destructive and fast detection.

In silico Screening of Potential Compounds from Medicinal Plants by Targeting Streptococcus mutans Deoxycytidylate Deaminase

Dental caries is the chronic infectious disease caused by bacteria to from a biofilm formation on the tooth surface of man. Drug-resistant Streptococcus mutans (S. mutans) poses a vital public health issue. To overcome this, the development of effective drugs with novel mechanism of action is requisite. Drug repurposing is considered a viable alternative approach to overcome the above issue. In the present study, we have attempted to selected unique and traditional source use as in traditional medicine. Traditionally, many cultures use chewing sticks for oral hygiene maintenance. When properly used, these chewing sticks are found to be efficient due to the combined effect of mechanical cleaning, enhanced salivation and the antimicrobial action of leached out plant. Inibition of the S. mutans deoxycytidylate deaminases (SmdCDs) is the most promising drug development strategy against the S. mutans, responsible for the biofilm formation. In the present work, out of 871 phytochemicals 211 phytochemicals were showed the most druggable substance with zero violation from any of druglikeness rule. Further, the binding energy indicates the affinity of the adhesion of protein structure docked with the 2 hit potential herbal compounds of which Cyclocurcumin and Androsta-1,4,6-triene-3,17-dione showed best docking with the SmdCD.

Pharmacognostical, Pharmaceutical and Microbiological Analysis of Mrudwika Sharkara

Draksha (Mrudwika) is best among all fruits as per Ayurveda. It is also indicated in different diseases as a medication and used in diets in fresh and dry forms. Draksha is a fruit that is only available during certain times of the year. Sharkara dosage form of it can be prepared to make that is palatable. Draksha is used in dry form i.e., Munakka (Mrudwika, raisins). Commonly, Munakka, Kismis, and Currants are three varieties with slight differences in their characteristics and nutritional content. They own property in Mridu Rechana, Vatahara, Pittahara, Brimhana, Vrishya, and Rasayana. For health promotion, disease prevention, and a wide range of Vata, Pitta, and Raktaja Vyadhis and Apatarpana Vyadhis, Draksha should be regularly incorporated into diet in either dry or fresh form. In the present study, an attempt has been made to develop pharmacognostical and pharmaceutical standards for Mrudwika Sharkara for assurance of quality of herbal compounds pharmacognostical and pharmaceutical analysis should be done. Methods: Mrudwika Sharkara was subjected to microscopic evaluation for pharmacognostical study, analysis physic-chemical analysis includes specific gravity, pH value, reducing sugar, non-reducing sugar and total sugar and high Performance thin layer chromatography (HPTLC). Mrudwika Sharkara was assessed for microbiological which include smear examination and culture study. Results: Pharmacognostical study showed the presence of certain identifying characters of Mrudwika and Sharkara. In pharmaceutical study, preliminary physico-chemical analysis showed specific gravity is 1.160, pH value is 4, reducing sugar 21.1%, non reducing sugar 48%, total sugar content 69.1%. HPTLC analysis showed eight spots in 254nm and six spots in 366nm. From date of preparation 23/06/21 to 18/10/22 no fungal contamination was found in Mrudwika Sharkar Conclusion: Present work was carried out to standardize the formulation Mrudwika Sharkara in terms of its identity, quality and purity. All of the preparation's active ingredients were identified by pharmacognostic and physicochemical examination. Self life of Mrudwika Sharkara showed that the quality of syrup in standard condition.

Comparative efficacy of tonifying kidney on treatment of mammary gland hyperplasia: Systematic review with network meta-analysis

BackgroundNetwork meta-analysis is used as a data synthesizer, incorporating direct and indirect evidence about treatments in a series of randomized control trials. ObjectiveTo evaluate the comparative efficacy of various Kidney nourishments for treating mammary gland hyperplasia (HMG). MethodsWe performed a network meta-analysis to combine direct and indirect data to investigate the efficiency of drug therapies, which were evaluated in relevant randomized control trials for HMG. ResultsThirty-seven eligible studies were included in this meta-analysis. A total of 4002 patients were included, in whom 21 therapeutic interventions were used. BieJiaJain Pill showed the highest efficacy in total efficiency, whereas Tamoxifen was the least effective. YanLuRuKang Capsule/Pill, AnRu Decoction showed higher efficacy in modulating Estradiol, whereas Tamoxifen and RuPiSanJie Capsule were lower effective. YanLuRuKang Capsule/Pill, RuKangShu Capsule, AnRu Decoction showed higher efficacy in narrowing lump, whereas RuKang Pill/Capsule, RuPiXiao Granules/Pill, RuPiSanJie Capsule were lower effective. YiShenShuGan Capsule/Decoction, WenYangXiaoPi Compound, TiaoChongGuBen Decoctiom showed higher efficacy in reducing painscore, whereas Tamoxifen, RuPiXiao Granules/Pill, RuPiSanJie Capsule were lower effective. XiaoYao Pill, RuPiSanJie Capsule showed higher efficacy in modulating progesterone, whereas WenYangXiaoPi Compound, TiaoChongGuBen Decoctiom were poorly effective. YiShenShuGan Capsule/Decoction, WenYangXiaoPi Compound, AnRu Decoction showed higher efficacy in modulating prolactin, whereas Tamoxifen, RuPiXiao Granules/Pill, RuPiSanJie Capsule were lower effective. ConclusionIn this study, the efficacy of oral Chinese herbal compounds in treating mammary glands hyperplasia was analyzed systematically and objectively, which provided a theoretical basis for clinical medication and was helpful for clinicians to make the best choice of medication. Due to the limitations of the selected literature, the conclusions of this study still need to be validated by high-quality clinical trial studies.

Plant Bioactive Ingredients in Delivery Systems and Nanocarriers for the Treatment of Leishmaniasis: An Evidence-Based Review.

This study was designed considering the challenges of leishmaniasis treatment and the benefits of carriers of drug delivery systems to review plant bioactive ingredients in delivery systems and nanocarriers for the treatment of leishmaniasis. The methodology of this review investigation followed the 06-PRISMA recommendations. The searches were carried out up to January 30, 2022, in the central English databases SCOPUS, WEB OF SCIENCE, EMBASE, PUBMED, and GOOGLE SCHOLAR using the search terms "ç", "leishmaniasis", "herbal medicines", "drug delivery", "nanocarriers", "herbal compounds", and "secondary metabolites". Out of 5731 articles, 19 publications, including 12 in vivo (63.15%), 3 in vitro (15.8%), and 4 in vitro/in vivo (21.1%) up to 2022, fulfilled the criteria presence for argument in the current systematic study. Plant bioactive ingredients were curcumin, betulinic acid, artemisinin, 4-nitrobenzaldehyde thiosemicarbazone, andrographolide, pentalinonsterol, ursolic acid, amarogentin, carvacrol, 14-deoxy-11-oxo-andrographolide, quercetin, beta-lapachone, cedrol, 2',6'-dihydroxy-4'-methoxychalcone, and oleanolic acid. The high potential of plant bioactive ingredients in delivery systems due to the load on the nanocarrier for the treatment of leishmaniasis through some main mechanisms of action, e.g. changes in the fluidity and the structure of the cell wall, creation of reactive oxygen species (ROS) and mitochondrial dysfunction, inhibition of DNA topoisomerase I enzyme, minimal cytotoxicity, stimulation of cell cycle disruption, stimulation of apoptosis, enhancement of the immune system. However, further investigations, especially in the clinical setting, are required to confirm these findings.

Molecular Docking Analyses of Phytochemicals from African Herbal Plants Exhibit Inhibitory Activity against Therapeutic Targets of Sars-COV-2

Viral diseases remain the leading cause of death due to infectious agent globally. Presently, global public health threat of international concern is the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), the causative agent of coronavirus disease-2019 (COVID-19) of worldwide prevalence. Plants worldwide including plants of African ethno-pharmacological relevance are a natural source of abundant and diverse phytochemicals with bioactivity against microorganisms including viruses. We selected 13 plants used in African traditional medicine for the treatment of viral diseases to screen for phytochemicals capable of interfering with SARS-CoV-2 therapeutic targets using AutoDocking Vina in silico approach. 25 phytochemicals from these plants that passed the Lipinski rule of drug-likeness were assessed for antiviral activity against three SARS-CoV-2 therapeutic targets, namely: spike glycoprotein, Papain-like protease and 3C-like proteinase. The crystal structure of the viral protein targets were obtained from the protein databank website (https://www.rcsb.org/). The active sites of the target proteins were predicted using SCFBio Server (http://www.scfbio-iitd.res.in/dock/ActiveSite.jsp) from the pdb file as input. The antiviral herbal phytochemical compounds were then docked with Papain-like protease, 3C-like proteinase and spike glycoprotein. The Autodocking hit results generated six lead phytochemicals out of the twenty-five (25) phytochemicals obtained from the African traditional herbs with potential anti-SARS-CoV-2 activity. The lead molecules with their binding affinities against Papain-like protease and 3C-Like Proteinase are as follows: Ginsenosides (-9.9), ursolic acid (-9.4), oleanolic acid (-9.4), cynarine(-8.9), glabridin (-8.5) and cinnamoyl-echinadiol (-8.2). We advocate for further in vitro and in vivo studies to evaluate the activity of these lead compounds with a view to optimized drug intervention against COVID-19 pandemic.

Phytochemistry, Pharmacology and Molecular Mechanisms of Herbal Bioactive Compounds for Sickness Behaviour.

The host's response to acute infections or tissue injury is a sophisticated and coordinated adaptive modification called sickness behaviour. Many herbs have been studied for their ability to protect animals against experimentally induced sickness behaviour. However, there is a lack of knowledge and experimental evidence on the use of herbal bioactive compounds (HBACs) in the management of sick behaviour. The goal of this review is to provide a concise summary of the protective benefits and putative mechanisms of action of phytochemicals on the reduction of lipopolysaccharide (LPS)-induced sickness behaviour. Relevant studies were gathered from the search engines Scopus, ScienceDirect, PubMed, Google Scholar, and other scientific databases (between 2000 and to date). The keywords used for the search included "Lipopolysaccharide" OR "LPS" OR "Sickness behaviour" OR "Sickness" AND "Bioactive compounds" OR "Herbal medicine" OR "Herbal drug" OR "Natural products" OR "Isolated compounds". A total of 41 published articles that represented data on the effect of HBACs in LPS-induced sickness behaviour were reviewed and summarised systemically. There were 33 studies that were conducted in mice and 8 studies in rats. A total of 34 HBACs have had their effects against LPS-induced changes in behaviour and biochemistry investigated. In this review, we examined 34 herbal bioactive components that have been tested in animal models to see if they can fight LPS-induced sickness behaviour. Future research should concentrate on the efficacy, safety, and dosage needed to protect against illness behaviour in humans, because there is a critical shortage of data in this area.

Neuroprotective Potential of Hericium Erinaceus aqueous extract utilization in ischemia-reperfusion injury related middle cerebral artery occlusion stroke model.

Background: Globally, stroke is the elusive basis of sensory and motor impairments in humans. Multiple herbal compounds have been shown in studies to have positive therapeutic potential when used in conjunction with pharmaceutical therapies for the treatment and primary prevention of ischemic stroke. Current research investigation is planned to determine the neuro-protective potential of Hericium Erinaceus (HE) aqueous extract utilization in pre and post-middle cerebral artery occlusion (MCAO) model of ischemic–reperfusion injury.
 Methodology: Fifty-four Wistar albino rats (200-250 gms; 10-12 weeks) were divided into four experimental groups (n=9). Group I (control); Group II (sham); Group III (MCAO) MCAO for 20-30 min then 24 hours of reperfusion; Group IV was split into three groups as subgroup I (300 mg/kg BWT of AEHE given for 7 days), subgroup II (300 mg/kg BWT of AEHE given for 7 days and then MCAO), subgroup III (at the 4th hour of MCAO induction 300mg/kg of AEHE was given). Blood and cerebral, hepatic, and renal tissue samples were preserved and evaluated for modifications in plasma lipids levels, liver-kidney levels, c-reactive protein, blood glucose, and tissue antioxidant levels. A histopathological study was done over the selected tissues.
 Results: MCAO induction significantly alters the reno-hepatic profiles, c-RP levels, and animal tissue antioxidant (CAT, SOD, GSH) enzymes levels. However, HE-extract in both subgroups (Pre MCAO HE and Post MCAO HE) has significantly reduced lipid panel, glucose levels, and reno-hepatic parameters significantly. HE has effectively regulated antioxidant enzymes in cerebral, hepatic, and renal homogenates. In Pre-MCAO HE and Post-MCAO HE groups, the histopathological architecture of tissues is preserved.
 Conclusion: Daily dietary consumption of HE extract in calculated quantity significantly reduces the biochemical changes related to MCAO in a rat stroke model in ischemia-reperfusion injury.

Evaluating the Effect of Atache Despigman Cream for the Treatment of Melasma

Introduction: Melasma is one of the common dermatologic diseases that has an effect on the patient's quality of life, therefore its treatment is important. Various medicinal and herbal compounds have been used, including creams containing hydroquinone, vitamin C, alfa hydroxy acids, arbutin, tretinoins, and sometimes combination creams are prescribed, and there is still no definite and guaranteed treatment for it. In the present experimental study, the effect of topical medicine Atache Despigman (Atache laboratorios, Spain), which contains 2% hydroquinone, vitamin C and fruit acids) in the treatment of melasma has been investigated. After two months of treatment with this medicine, from the patients' point of view, the results of spot reduction were very good 17%, good 53%, average 25%, and poor 5%, and these percentages from the doctor's point of view were 20%, 52%, 25%, and 3%, respectively. Therefore, the majority observed the effectiveness. With the examination by Dermacatch device, a decrease in pigmentation was also observed.

Systematic Analysis Strategy Based on Network Pharmacology to Investigate the Potential Mechanism of Fritillaria thunbergii Miq. against Idiopathic Pulmonary Fibrosis.

Idiopathic pulmonary fibrosis (IPF) is a long-term, distressing, and age-related interstitial lung disease characterized by a complicated etiology and irreversible progression. Fritillaria thunbergii Miq. (Zhe Beimu, ZBM) is frequently used for its heat-clearing and phlegm-resolving properties in herbal compounds for the treatment of IPF. However, the specific mechanisms underlying the effects of ZBM against IPF have not yet been reported. In this study, we applied a systematic analysis strategy based on network pharmacology to explore the probable core targets and major pathways of ZBM against IPF. In addition, molecular docking simulation and quantitative real-time polymerase chain reaction (qRT-PCR) were performed to preliminarily investigate the possible mechanisms underlying the therapeutic effects of ZBM on IPF. We collected a total of 86 components of ZBM and used network pharmacology analysis to screen nine presumptive targets of ZBM against IPF. The molecular-docking results indicated that the components of ZBM exhibited good binding activity with presumptive targets. The qRT-PCR results also suggested that ZBM may partly alleviate IPF by regulating the expression of presumptive targets. This study laid the foundation for further clinical applications of ZBM and the development of IPF-related therapeutic products.

Intestinal microbiota analysis and network pharmacology reveal the mechanism by which Lianhua Qingwen capsule improves the immune function of mice infected with influenza A virus.

Lianhua Qingwen capsule (LHQW) can attenuate lung injury caused by influenza virus infection. However, it is unclear whether the intestinal microbiota plays a role in LHQW activity in ameliorating viral infectious pneumonia. This study aimed to investigate the role of intestinal microbiota in LHQW activity in ameliorating viral infectious pneumonia and its possible mechanisms. A mouse model of influenza A viral pneumonia was established by intranasal administration in BALB/c mice. Detection of influenza virus in the lungs, pathological examination of the lungs and small intestine, and biochemical detection of inflammatory indices were performed. The effects of LHQW on intestinal microbiota were evaluated by 16S rRNA gene sequencing. The key components and targets of LHQW were screened via network pharmacology and verified through molecular docking, molecular dynamics simulation, and free binding energy calculations. Body weight decreased, inflammatory factor levels were disturbed, and the lung and intestinal mucosal barriers were significantly injured in the infected group. The alpha diversity of the intestinal microbiota decreased, and the abundance of Bacteroidetes, Muribaculaceae_unclassified, and Streptococcus decreased significantly. LHQW treatment reduced the viral load in the lungs, rescued body weight and survival, alleviated lung and intestinal mucosal barrier injury, reversed the reduction in the intestinal microbiota alpha diversity, and significantly increased the abundance of Bacteroidetes and Muribaculaceae. Network pharmacological analysis showed that six active herbal medicinal compounds from LHQW could regulate the intestinal microbiota and inhibit the immune-inflammatory response through the Toll-like receptor (TLR) and nuclear factor-κB (NF-κB) signalling pathways in the lungs. These results suggest that LHQW is effective for treating influenza A virus infectious pneumonia, and the mechanism is associated with the regulation of the TLR4/NF-κB signalling pathway in the lungs by restoring intestinal microbiota and repairing the intestinal wall.

Quantitative 1H NMR with global spectral deconvolution approach for the determination of gamma-aminobutyric acid in Chinese yam (Dioscorea polystachya Turczaninow).

We developed a quantitative proton nuclear magnetic resonance (qNMR) with global spectral deconvolution (GSD) method to determine the gamma-aminobutyric acid content in Chinese yam with the proton signal at δH 2.30. Trimethylsilyl-2,2,3,3-tetradeuteropropionic acid sodium salt was set as the internal standard. The method was validated and showed admissible stability, repeatability, and precision. Compared to the traditional high-performance liquid chromatography method, this method did not involve tedious pre-treatment and expensive standard. Compared to ordinary qNMR, GSD algorithm could effectively remove the effect of noise, baseline distortions and signal overlapping. Overall, qNMR with GSD method is a rapid, simple and reliable method to quantitatively determine functional metabolites even overlapped with other compounds in herbs or foods.