Potential Bioactive Constituents Research Articles

Elderberry Hydrolate: Exploring Chemical Profile, Antioxidant Potency and Antigenotoxicity for Cosmetic Applications

Elderberry (Sambucus nigra L.) hydrolate, derived from domestic steam distillation, holds promise as a multifunctional ingredient for skincare and cosmetic applications. This study investigates the chemical composition and biological activities of elderberry hydrolate obtained through steam distillation. Despite the growing interest in elderberry hydrolate, there has been a lack of comprehensive studies elucidating its chemical composition and potential bioactive constituents. To address this gap, we conducted a detailed analysis of elderberry hydrolate’s composition, antioxidant activity, and antigenotoxicity. Genotoxic evaluation and antioxidant assays (ABTS, DPPH) were conducted to assess its biological properties. We obtained elderberry hydrolate with a notable transfer of aromatic compounds through the steam distillation process, highlighting its efficacy and sustainability. The chemical characterization identified vital compounds, including phenylacetaldehyde, 2-acetyl-pyrrole, and an unidentified major component, collectively contributing to the hydrolate’s aromatic and biological properties. The genotoxic evaluation using the Comet assay demonstrated the hydrolate’s protective effects against DNA damage induced by hydrogen peroxide and streptonigrin. The optimal DNA protection was observed at 10% (w/v), attributed to the antioxidant activity of the identified compounds. The hydrolate exhibited significant antioxidant potential, demonstrating concentration-dependent responses and correlating higher concentrations with increased antioxidant activity. These findings underscore the multifaceted attributes of elderberry hydrolate, positioning it as a promising natural ingredient for skincare. This study supports elderberry hydrolate as a valuable natural and sustainable product development resource.

Unveiling the Antimicrobial, Anti-Biofilm, and Anti-Quorum-Sensing Potential of Paederia foetida Linn. Leaf Extract against Staphylococcus aureus: An Integrated In Vitro-In Silico Investigation.

Antimicrobial resistance poses a global health threat, with Staphylococcus aureus emerging as a notorious pathogen capable of forming stubborn biofilms and regulating virulence through quorum sensing (QS). In the quest for novel therapeutic strategies, this groundbreaking study unveils the therapeutic potential of Paederia foetida Linn., an Asian medicinal plant containing various bioactive compounds, contributing to its antimicrobial activities, in the battle against S. aureus. Through a comprehensive approach, we investigated the effect of ethanolic P. foetida leaf extract on S. aureus biofilms, QS, and antimicrobial activity. The extract exhibited promising inhibitory effects against S. aureus including the biofilm-forming strain and MRSA. Real-time PCR analysis revealed significant downregulation of key virulence and biofilm genes, suggesting interference with QS. Biofilm assays quantified the extract's ability to disrupt and prevent biofilm formation. LC-MS/MS analysis identified quercetin and kaempferol glycosides as potential bioactive constituents, while molecular docking studies explored their binding to the QS transcriptional regulator SarA. Computational ADMET predictions highlighted favorable intestinal absorption but potential P-glycoprotein interactions limiting oral bioavailability. While promising anti-virulence effects were demonstrated, the high molecular weights and excessive hydrogen bond donors/acceptors of the flavonoid glycosides raise concerns regarding drug-likeness and permeability. This integrated study offers valuable insights for developing novel anti-virulence strategies to combat antimicrobial resistance.

Integrated pharmacokinetic properties and tissue distribution of multiple active constituents in Qing-Yi Recipe: A comparison between granules and decoction

BackgroundQing-Yi Recipe, a classic traditional Chinese medicine (TCM), is widely used for treating acute diseases of the abdomen, especially pancreatitis, the efficacy of which has been demonstrated in more than thirty clinical trials. However, the in-vivo pharmacodynamic material basis for this formula remains unclear. MethodsA sensitive and accurate method for quantifying twenty-two potential bioactive constituents of Qing-Yi Recipe in biological samples was developed using liquid chromatography-tandem mass spectrometry (LC-MS/MS), and this method was fully validated. Then, the integrated pharmacokinetic properties of Qing-Yi Recipe and its major metabolites in rats were investigated using the post-listed granules at both dosages. Subsequently, tissue distributions of those constituents in nine organs (especially the pancreas) were determined, and the overall parameters between the two formulations were compared. ResultsThough the chemical profiles of the formulas varied across formulations, the overall exposure level was very similar, and baicalin, wogonoside, geniposide, rhein, costunolide, and paeoniflorin were the top six bioactive compounds in the circulation. All twenty-two natural products reached their first peak within 2 h, and several of them exhibited bimodal or multimodal patterns under the complicated transformation of metabolic enzymes, and the parameters of these products markedly changed compared with those of monomers. Diverse metabolites of emodin and baicalin/baicalein were detected in circulation and tissues, augmenting the in vivo forms of these compounds. Finally, the enrichment of tetrahydropalmatine and corydaline in the pancreas were observed and most compounds remained in the gastrointestinal system, providing a foundation basis for their potential regulatory effects on the gut microbiota as well as the intestinal functions. ConclusionHerein, the pharmacokinetic properties and tissue distribution of multiple potential active constituents in Qing-Yi Recipe were investigated at two dosages, providing a pharmacodynamic material basis of Qing-Yi Recipe for the first time. This investigation is expected to provide a new perspective and reference for future studies on the physiological disposition and potential pharmacodynamic basis of traditional Chinese medicine to treat acute abdomen diseases.

Phytochemical Profiling and Biological Activities of Pericarps and Seeds Reveal the Controversy on "Enucleation" or "Nucleus-Retaining" of Cornus officinalis Fruits.

The fruits of Cornus officinalis are used not only as a popular health food to tonify the liver and kidney, but also as staple materials to treat dementia and other age-related diseases. The pharmacological function of C. officinalis fruits with or without seeds is controversial for treating some symptoms in a few herbal prescriptions. However, the related metabolite and pharmacological information between its pericarps and seeds are largely deficient. Here, comparative metabolomics analysis between C. officinalis pericarps and seeds were conducted using an ultra-performance liquid chromatography-electrospray ionization-tandem mass spectrometry, and therapeutic effects were also evaluated using several in vitro bioactivity arrays (antioxidant activity, α-glucosidase and cholinesterase inhibitory activities, and cell inhibitory properties). A total of 499 secondary metabolites were identified. Thereinto, 77 metabolites were determined as key differential metabolites between C. officinalis pericarps and seeds, and the flavonoid biosynthesis pathway was identified as the most significantly different pathway. Further, 47 metabolites were determined as potential bioactive constituents. In summary, C. officinalis seeds, which demonstrated higher contents in total phenolics, stronger in vitro antioxidant activities, better α-glucosidase and butyrylcholinesterase inhibitory activities, and stronger anticancer activities, exhibited considerable potential for food and health fields. This work provided insight into the metabolites and bioactivities of C. officinalis pericarps and seeds, contributing to their precise development and utilization.

Phytochemistry and Pharmacology of Selected Species of Smilax L. (Smilacaceae) in India

Abstract Background: Medicinal plants have been used in traditional medical practices since prehistoric times. It is popularly known that roots, rhizomes, and leaves of some Smilax species are widely used for treating various diseases such as toothache, muscular pain, urinary diseases, and jaundice. Methodology: This review aims to document the information regarding major phytochemicals and pharmacological activity of selected Smilax species in India. Details of different species of Smilax species in India were collected from online databases such as https://wcsp.science.kew.org/(2022), https://powo.science.kew.org (2022), and https://www.ipni.org (2022). All the available information related to phytochemistry and pharmacological activities was collected from electronic databases such as Academic Journals, Springer, PubMed, Google Scholar, ScienceDirect, MEDLINE, Scopus, Web of Science, and other primary and secondary sources. Results: Literature survey revealed that members of the genus Smilax possess large quantities of steroids and phenolic compounds and possess various bioactive properties such as antibacterial, antifungal, antioxidant, and analgesic activities. Conclusion: This review concludes that more research on the genus Smilax is required to identify and evaluate the presence of potential bioactive constituents, and further investigations may be led to the development of new drugs.

Integration of fingerprint-activity relationship and chemometric analysis to accurately screen Q-markers for the quality control of traditional Chinese medicine compound preparation: Jinlian Qingre granules as an example

This study aims to develop a comprehensive strategy that accurately screens and quantifies quality markers (Q-markers) by combining LC-MS metabolomics with fingerprint-effect relationships, chemometrics, and QAMS methods for the quality control in traditional Chinese medicine compound preparations (CMP). First, the chemical compositions in Jinlian Qingre granules (JQG) were analyzed and identified using ultrahigh-performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS). Next, the HPLC fingerprint of JQG was established, and chemometrics were employed to evaluate JQG quality. Then, potential anti-inflammatory bioactive constituents were screened using a fingerprinting-effect relationship model utilizing partial least squares regression (PLSR) and a back propagation neural network optimized using a genetic algorithm (GA-BPNN). On this basis, Q-markers of JQG were determined and analyzed using quantitative analysis of multi-components by the single marker (QAMS) employing three components as reference substances (RS). 24 chemical constituents in JQG were characterized using UHPLC-HRMS. Twenty-four common peaks were assigned to the fingerprint. Six compounds, mangiferin, 2′'-O-beta-L-galactopyranosylorientin, orientin, veratric acid, vitexin, and harpagoside, identified from the common peaks associated with anti-inflammatory efficacy, could be used as Q-markers of JQG. The content determination results displayed no significant difference in the content of Q-markers in 20 batches of JQG samples measured using the external standard method and QAMS. Q-markers could be efficiently screened and determined by integrating multidisciplinary technologies. This comprehensive strategy could be beneficial for the thorough evaluation of CMP.

A comprehensive quality evaluation for Huangqi Guizhi Wuwu decoction by integrating UPLC-DAD/MS chemical profile and pharmacodynamics combined with chemometric analysis

Ethnopharmacological relevanceHuangqi Guizhi Wuwu Decoction (HGWD), a classical Chinese formula originally recorded in Jin Kui Yao Lue, was used for the treatment of human “blood impediment” (a type of “Bi” syndrome). In clinical practice, HGWD has been applied to treat rheumatoid arthritis (RA). Aim of the studyThe characterization of chemical markers reflecting both efficacy and chemical characteristics is of great significance for TCM quality control. With the anti-RA effects of HGWD as an example, the aim of this study was to develop a comprehensive strategy combining the overall chemical profile and biological activity data to identify chemical markers. Materials and methodsFirst, an ultra-performance liquid chromatography-diode array detector (UPLC-DAD) fingerprint was established and validated to evaluate the holistic quality of HGWD of different origins. Characteristic markers associated with HGWD from different geographical origins were screened by a combination of UPLC-DAD fingerprint and chemometrics methods. Second, the chemical profiles of the 15 batches of HGWD samples were characterized by UPLC coupled tohybrid linear ion trap-Orbitrap mass spectrometry (UPLC-HRMS). The in vitro anti-RA activities of the 15 HGWD samples were then evaluated. Third, spectrum-effect relationship analysis was performed to identify bioactive compounds that could potentially be used as quality markers. Finally, a UPLC-triple quadrupole tandem mass spectrometry approach was optimized and established for quantitative analysis of the characteristic and quality markers in 15 batches of HGWD. ResultsIn total, 30 common peaks were assigned in the UPLC-DAD fingerprint. Nine peaks were recognized and considered characteristic markers: protocatechuic acid, coumarin, cinnamic acid, oxypaeoniflorin, paeoniflorin, calycosin, formononetin, catechin, and albiflorin. Furthermore, ninety-five common compounds were identified in the UPLC-HRMS chemical profile. The pharmacological analysis indicated that the anti-RA activities of the 15 HGWD samples were vastly different. The spectrum-effect relationship analysis revealed 30 potential bioactive constituents positively correlated with anti-RA activity. Among them, five compounds with relative amounts >1%, paeoniflorin, astragaloside IV, hexahydrocurcumin, formononetin and calycosin-7-glucoside, were selected as quality markers, and their activity was verified in LPS-induced RAW264.7 macrophages. Finally, the above 12 representative components were simultaneously quantified in the 15 batches of HGWD samples. ConclusionCombining a holistic chemical profile with representative component evaluation, this systematic strategy could be a reliable and effective method to improve quality evaluations of HGWD.

Extraction of Prosopis Cineraria from Bikaner, Rajasthan of India- Detection of Compounds via GCMS, Calibration via HPLC, UV, FTIR, FESEM EDAX- An Anti-Cancer Agent For Blood Cancer with Validated IC50 via Testing Over Country Eggs

In order to analyze the potential bioactive constituents of leaf extracts of Prosopis Cineraria/ Khejri- National tree of Rajasthan, a plant with enormous Ayurvedic properties, Fourier Transform Infrared Spectroscopy (FTIR) along with Ultra Violet Spectroscopy (UV) and added Field Emission Scanning Emission Microscope with Energy Dispersive X-ray analysis (FESEM-EDAX) were carried out. The authors too demonstrated cell line studies via MTT Assay for MOLT 4, blood cancer in different concentrations and found Khejri as toxic with validated IC50. Further, Gas Chromatography-Mass Spectroscopy (GC-MS) and High-Performance Liquid Chromatography (HPLC) were tested and certain compounds gave spectrum with few major peaks concluded by other results, most of which are bioactive compounds which may act as antimicrobial, anti-cancerous, antioxidant, antiviral and anti-inflammatory agents. On an all, Khejri/Sami leaves of Mimosaceae family of Spunge tree is having anti cancerous properties for blood cancer that may repair punctured blood vessels if being treated properly. The authors have demonstrated the testing over country eggs with treated/ untreated group of eggs and found the formation of blood vessels that gesture how effective the drug is, being composed of Khejri extract. It is not only confined to cancer diseases but acts as a very good agent for inflammation, digestion and conjunctivitis. On an all, this natural compound so extracted is found to be useful for blood cancer with IC50 as 57.11 that simply reflect that the medicine composed from the same will be highly beneficial for cancer patients - let it be Ayurvedic, homoeopathic or allopathic.

Pandanus amaryllifolius Exhibits In Vitro Anti-Amyloidogenic Activity and Promotes Neuroprotective Effects in Amyloid-β-Induced SH-SY5Y Cells.

Accumulation of amyloid-beta (Aβ) plaques leading to oxidative stress, mitochondrial damage, and cell death is one of the most accepted pathological hallmarks of Alzheimer’s disease (AD). Pandanus amaryllifolius, commonly recognized as fragrant screw pine due to its characteristic smell, is widely distributed in Southeast Asia and is consumed as a food flavor. In search for potential anti-AD agents from terrestrial sources, P. amaryllifolius was explored for its in vitro anti-amyloidogenic and neuroprotective effects. Thioflavin T (ThT) assay and the high-throughput screening multimer detection system (MDS-HTS) assay were used to evaluate the extracts’ potential to inhibit Aβ aggregations and oligomerizations, respectively. The crude alcoholic extract (CAE, 50 μg/mL) and crude base extract (CBE, 50 μg/mL) obstructed the Aβ aggregation. Interestingly, results revealed that only CBE inhibited the Aβ nucleation at 100 μg/mL. Both CAE and CBE also restored the cell viability, reduced the level of reactive oxygen species, and reversed the mitochondrial dysfunctions at 10 and 20 μg/mL extract concentrations in Aβ-insulted SY-SY5Y cells. In addition, the unprecedented isolation of nicotinamide from P. amaryllifolius CBE is a remarkable discovery as one of its potential bioactive constituents against AD. Hence, our results provided new insights into the promising potential of P. amaryllifolius extracts against AD and further exploration of other prospective bioactive constituents.

Anti-Atopic Dermatitis Activity of Cornus walteri and Identification of the Bioactive Compounds

Atopic dermatitis (AD) is a chronic inflammatory disease characterized by hyperactivated immune reactions in the skin. AD is a prevalent health concern in developing countries, with a particularly high incidence among children. Despite ongoing research on AD, prevention and treatment strategies for patients remain inadequate. In this study, the inhibitory effects of Cornus walteri on AD were investigated. C. walteri (Cornaceae), commonly known as “Walter’s dogwood,” is a deciduous shrub used as a traditional medicine to treat dermatologic inflammation caused by lacquer poisoning. However, the role of C. walteri in AD remains largely unknown. To evaluate its anti-AD potential, we investigated the anti-inflammatory activity of the MeOH extract of C. walteri stems (CWS) using the HaCaT human keratinocyte cell line. CWS reduced the secretion of AD-related chemokines, eotaxin-3/CCL26 and thymus and activation-regulated chemokine (TARC/CCL17). In addition, CWS also inhibited the mRNA expression of macrophage-derived chemokine (MDC/CCL22) and upregulated filaggrin, which plays an essential role in skin barrier functions. To identify the bioactive constituents of CWS, phytochemical investigation of CWS led to the isolation of potential bioactive constituents (1–6), including four triterpenoids, one steroid and one diterpene analog, the structures of which were identified as lupeol (1), betulinic acid (2), 5α-stigmast-3,6-dione (3), 3-O-acetylbetulin (4), betulinic acid methyl ester (5) and norphytan (6) through nuclear magnetic resonance (NMR) spectroscopy and liquid chromatography (LC)–mass spectrometry (MS) analysis. The isolated compounds (1–6) were evaluated for their inhibitory activities against eotaxin-3 expression. Compounds 1, 2 and 3 significantly reduced the levels of eotaxin-3. These findings provided experimental evidence that CWS, particularly active compounds 1, 2 and 3, could be further utilized as potential therapeutic agents to treat AD.

Bioactive Compound, Antioxidant, and Radical Scavenging Activity of Some Plant Aqueous Extracts for Enhancing Shelf Life of Cold-Stored Rabbit Meat.

The potential radical scavenging, antioxidant activities (DPPH and ABTS) and bioactive constituents of several plant aqueous extracts (Curcuma longa, CL; Myristica fragrans, MF; Zingiber officinale, ZO; Cymbopogon citratus, CC and Thymus vulgaris, TV as well as their mixture) were investigated. The effect of these extracts on quality aspects (sensory characteristic, color traits, and Thiobarbituric acid) of rabbit meat during a 16-day cold (4 ± 2 °C) storage were investigated. Total phenolics and flavonoid contents of all extracts ranged from 13.27 ± 0.57 to 25.23 ± 0.49 mg GAE/g and 6.57 ± 0.22 to 13.24 ± 0.19 mg quercetin/g, respectively. The aqueous extract of MF had the highest (p ≤ 0.05) ABTS scavenging activity (4.55 μ mol Te/g dry extract), whereas the highest (p < 0.05) DPPH scavenging activity was detected in ZO extract (9.32 μ mol Te/g dry extract). Identification of extracts’ bioactive compounds by GC-MS revealed that Eugenol (34.51%), Cinnamaldehyde (44.71%), Carvacrol (40.49%), Eicosane aldehyde (31.73%), and thymol (50.04%) are the first abundant bioactive compounds of CL, MF, ZO, CC, and TV aqueous extracts, respectively. Generally, the thiobarbituric acid reactive substances (TBARS) of all cold stored rabbit meat increased (p < 0.05) by increasing the storage time. The lowest TBARS values were detected for the samples treated with 0.2% of plant extracts mixture, which increased the shelf life of cold-stored rabbits by 50%. Significant (p < 0.05) increases in both L* and b* were observed with extended storage time. Meanwhile, the redness of the cold stored rabbit meat had an opposite trend. Treating the cold stored rabbit meat with 0.2% of the extract’s mixture doubled the storage time with acceptable odor and taste. The results indicated that the studied plant extracts may be effective against rancidity and may be used as a natural antioxidant to prolong the shelf life of cold-stored rabbit meat.

Identification of key bioactive anti-migraine constituents of Asari radix et rhizoma using network pharmacology and nitroglycerin-induced migraine rat model

&#x0D; &#x0D; &#x0D; &#x0D; Purpose: To elucidate the bioactive constituents of Asari radix et rhizoma (ARR) in treating migraine based on network pharmacology and nitroglycerin-induced migraine rat model.&#x0D; Methods: The potential bioactive constituents of ARR were identified with the aid of literature retrieval and virtual screening, and the migraine-related hub genes were identified using protein-protein interaction and topology analyses. Then, the interaction between the potential bioactive constituents and hub genes was determined with molecular docking and topology, leading to the prediction of the anti-migraine constituents of ARR. Moreover, a rat model of nitroglycerin-induced migraine was used to confirm the prediction by measuring the frequency of head-scratching and head-shaking behavior (FHHB) in the rats. In addition, levels of nitric oxide (NO) and calcitonin gene-related peptide (CGRP) in blood, norepinephrine (NE) and 5-hydroxytryptamine (5-HT) in brain were measured using appropriate commercial kits.&#x0D; Results: Network pharmacology revealed that naringenin-7-O-β-D-glucopyranoside and higenamine might be the key anti-migraine bioactive constituents of ARR. On addition of naringenin-7-O-β-D- glucopyranoside or higenamine to ARR, there was marked enhancement of the mitigating effect of ARR on nitroglycerin-induced abnormalities in levels of NO, CGRP, 5-HT and NE, as well as FHHB in rats (p &lt; 0.05 or 0.01).&#x0D; Conclusion: These findings indicate that naringenin-7-O-β-D-glucopyranoside and higenamine might be the key bioactive and anti-migraine constituents of ARR. However, in addition to naringenin-7-O-β-D- glucopyranoside and higenamine, there were many other anti-migraine constituents in ARR. Therefore, there is need for further investigations on the actual contributions of these two constituents of ARR in treating migraine.&#x0D; &#x0D; &#x0D; &#x0D;

Deciphering chemical profiling, pharmacological responses and potential bioactive constituents of Saussurea lappa Decne. Extracts through in vitro approaches

Despite advancement in modern medicines, plant derived medicines have still wide range utilities as they have less side effects and are cheap and biocompitable. Sassurea lappa is an extensively used plant in traditional medicinal formulations. Plant roots are used to cure various diseases including cancer, rheumatic pain, abdominal and nervous disorders. The present study was aimed for the evalution of biological potentials of methanolic and chloroform extracts of Saussurea lappa root, leaf, seed and flower. The methanolic and chloroform extracts were subjected to qualitative and quantitative phytochemical analyses. Identification of functional groups was performed using Fourier Transform infrared (FT-IR) spectroscopy. Antioxidant potential was determined via diphenyl-1-picrylhydrazyl (DPPH), total reducing power (TRP) and total antioxidant capacity (TAC) method, anti-hemolytic potential was conducted on human RBCs, antibacterial activity was evaluated against six American type culture collection (ATCC) and three multi drug resistance (MDR) strains, cytotoxic and phytotoxic potentials were evaluated through brine shrimp lethality assay and raddish seed assay respectively. Experiments were performed in triplicates and analysis of variance (ANOVA) was applied using statistics version-8.1. Phytochemical analysis revealed the presence of sixteen secondary metabolites. Fourteen functional groups were identified through FTIR. S. lappa root methanolic (SLRM) showed maximum antioxidant activity index (AAI-79.42%) whereas chloroform extract of leaves (SLLC) gave highest antibacterial activity with maximum zone of inhibition (ZOI) against Pseudomonas aeruginosa (21.4 mm). Maximum cytotoxicity was observed for SLRM with lethal dose concentration (LC50) of 58.8 µg/mL. However, root extracts showed significant phytotoxicity (15% germination). The current study investigated that bioactive compounds present in S. lappa leaves, seed, flower and roots were responsible for enhanced biological potentials. Further studies on isolation and characterization of these bioactive compounds may help in drug development. In future, we recommend different in-vitro and in-vivo studies to further confirm it biopharmacological potencies.

Polyphenolic‑rich fraction of Pithecellobium dulce attenuates methotrexate‑induced oxidative stress and associated tissue injury by regulating the TNF‑α, IL‑1β and IL‑6 pro‑inflammatory cytokines

The fruits of <em>Pithecellobium dulce</em> (P. dulce) are edible, and have been consumed in Asian countries. They are considered a dense source of proteins, fats, carbohydrates and vitamins. The present study aimed to explore the antioxidant (<em>in vitro</em> and <em>in vivo</em>) effects of the fruit extract of <em>P. dulce</em> (FPD) against methotrexate (MTX)‑induced hepatic and renal toxicities in a BALB/c mouse model. A preliminary qualitative analysis of FPD was carried out following standard procedures. The <em>in vitro</em> antioxidant efficacy of FPD was evaluated by different free radical scavenging assays. In order to further validate the protective effects of FPD, an expansive <em>in vivo</em> experimental strategy was developed. Oxidative stress was induced in mice by an intraperitoneal (i.p) injection of MTX (20 mg/kg body weight). The protective effects of FPD against MTX‑induced oxidative stress were evaluated following the oral administration of FPD at 40 mg/kg body weight for 10 consecutive days. Preliminary qualitative analysis of FPD revealed the presence of several active phyto‑components. The <em>in vitro</em> antioxidant efficacy of FPD was evaluated, and a concentration‑dependent increment in antioxidant activity was observed. These data from the cell free system represent a clear approximation of the antioxidant status of potential bioactive constituents. The administration of FPD significantly reduced MTX‑induced serum hepatic and renal toxicity marker enzymes. The co‑administration of FPD also reduced the levels of tissue oxidative stress markers and enhanced the antioxidant status in the liver, kidneys and lungs of mice compared with the MTX alone group. FPD also reversed MTX‑induced pancytopenia. Furthermore, the protective effects of FPD were confirmed by tissue histopathological analysis. Additionally, treatment with FPD markedly reduced the MTX‑induced increase in the levels of serum pro‑inflammatory cytokines, such as TNF‑α, IL‑1β and IL‑6. On the whole, the findings of the present study strongly ascertain the antioxidant efficacy of FPD and its role in mitigating MTX‑induced tissue injury.

A four-component combination derived from Huang-Qin Decoction significantly enhances anticancer activity of irinotecan.

Huang-Qin Decoction (HQD) is a classic prescription for diarrhea in Chinese medicine treatment. Recent studies have demonstrated that HQD and its modified formulation PHY906 could ameliorate irinotecan (CPT-11) induced gastrointestinal (GI) toxicity and enhance its anticancer therapeutic efficacy. Nevertheless, which constituents in HQD are effective is still unclear so far. The study aims to screen out the key bioactive components combination from HQD that could enhance the anticancer effect of CPT-11. First, the potential bioactive constituents were obtained through system pharmacology strategy. Then the bioactivity of each constituent was investigated synthetically from the aspects of NCM460 cell migration, TNF-α release of THP-1-derived macrophage and MTT assay in HCT116 cell. The contribution of each constituent in HQD was evaluated using the bioactive index Ei, which taken the content and bioactivity into comprehensive consideration. And then, the most contributing constituents were selected out to form a key-component combination. At last, the bioefficacy of the key-component combination was validated in vitro and in vivo. As a result, a key-component combination (HB4) consisting of four compounds baicalin, baicalein, glycyrrhizic acid and wogonin was screened out. In vitro assessment indicated that HB4 could enhance the effect of CPT-11 on inhibiting cell proliferation and inducing apoptosis in HCT116. Furthermore, the in vivo study confirmed that HB4 and HQD have similar pharmacological activity and could both enhance the antitumor effect of CPT-11 in HCT116 xenograft model. Meanwhile, HB4 could also reduce the CPT-11 induced GI toxicity.

In silico screening of potentially bioactive-anti-functional dyspepsia constituents of Magnoliae officinalis Cortex based on molecular docking and network pharmacology

Purpose: To screen for bioactive anti-functional dyspepsia compounds from Magnoliae officinalis Cortex (Hou Po) and to identify the mechanism(s) of action involved.Methods: The compounds of Hou Po were collected from the literature. The related target proteins were identified from DrugBank. Through “Libdock” module of Discovery Studio 3.5, the compounds were matched with related target proteins. Taking the Libdock score of the original ligand with target protein as standard, components with higher scores than this standard were considered as potential bioactive compounds. Based on Cytoscape software, the interaction networks of the bioactive compound-target protein complexes were mapped. On the other hand, the online DAVID database was used to analyze the GO enrichment and KEGG pathway of each target.Results: A total of 199 chemical constituents and 13 correlated target proteins were obtained. One hundred and thirty-nine (139) potential bioactive constituents were acquired based on molecular docking. Thirty-one (31) bioactive compounds were selected based on degree values in networkanalysis. “Palmitone” and “magnolignan G” which had the highest degree values were considered promising and leading compounds. The result of gene enrichment analysis showed that the bioactive compounds exerted their effects mainly via “neuroactive ligand-receptor interaction” pathway and “Cholinergic synapse” pathways.Conclusion: Based on molecular docking and network pharmacology technique, the material basis for the use of Hou Po in the treatment of FD has been revealed. This finding provides a useful guide in the development of Hou Po-based anti-FD drugs.&#x0D; Keywords: Magnolia officinalis, Hou Po, Molecular docking, Functional dyspepsia, Network pharmacology

Growth promoting studies on co-culturing Nannochloropsis oceanica with Halomonas aquamarina actively enhance the algal biomass and lipid production

Photosynthetic macroalgae plays a major role in capturing solar energy and convert it to bioenergy in the marine environment, thereby releases the potential bioactive constituents. Microalgae live together with the bacterial community in nature via symbiotic relationship. We investigated the symbiotic association of microalgae-bacteria and their response towards adaptation by producing siderophores as well as other bioactive principles. Microalgae Nanochloropsis oceanica were cultured under controlled conditions and the resulting associated microbe was found to be Halomonas aquamarina. Interestingly, the bacteria H. aquamarina promoted the microalgal growth faster at day 7 (1.09 × 107 cells/ml) as compared to the control at day 12 (1.72 × 106 cells/ml) respectively. Furthermore this co-culture system acts as an effective growth promoter of hydroxamate siderophores (69.97 μg/ml) that enhanced algal biomass and lipid contents (30.92117 μgL−1) than the control (24.86428 μgL−1). Pigment profiling of N. oceanica by HPLC revealed that H. aquamarina does not affect the algal signature pigments rather it enhanced the pigments concentration. The present study provides a knowledge on the biological interaction of microalgae-bacteria as an efficient tool to improve the biomass yield with reduced cultivation costs. Moreover, the consideration of symbiosis between microalgae-bacteria is likely to have insightful effects for the future exploitation of microalgae in the field of agriculture, pharmaceutical and biotechnological applications.

Chemical constituents of Ligusticum chuanxiong and their anti-inflammation and hepatoprotective activities

Ligusticum chuanxiong Hort is a famous health promoting plant cultivated in China, and widely consumed due to its various curative effects. To study the potential bioactive constituents from the rhizome of L. chuanxiong, a chemical investigation was thus performed. In present study, we report the isolation and identification of ten new compounds, including two coumarins (1–2), four lignans (3–6), and four phenols (7–10), along with five known compounds (11–15) from the rhizome of L. chuanxiong. The structures of these compounds were unambiguously established by HR-ESI-MS, UV, IR, CD, NMR spectral data and comparison to reported data. Meanwhile, the anti-inflammation and hepatoprotective activities of all these compounds were evaluated. The results show that compounds 5, 6 and 7 showed excellent inhibition of NO production in LPS-induced RAW 264.7 cells stronger than curcumin, and compounds 5, 7 and 9 exhibited greater hepatoprotective effect than that of bicyclol.

A rapid strategy for screening high-efficiency PCSK9 inhibitors from Ginkgo biloba leaves by ligand fishing, HPLC-Q-TOF-MS and interdisciplinary assay.

Proprotein convertase subtilisin/kexin type 9 (PCSK9) is an attractive target for new cholesterol-lowering drug development. Here, we developed a method integrating ligand fishing, HPLC-Q-TOF-MS and interdisciplinary assay, aiming to explore potential PCSK9 inhibitors from mixtures rapidly and accurately. PCSK9 was expressed and purified firstly, and then the recombined PCSK9 was coated on the surface of magnetic beads (MBs). The PCSK9-immobilized MBs (PCSK9-MBs) were used for ligand fishing combined with HPLC and Q-TOF-MS/MS. Ginkgo biloba leaves (GBL), an herbal medicine widely used in Asia and Europe with good efficacy in treatment of hypercholesterolemia, were chosen as an illustration for ligand fishing. Two PCSK9 ligands were discovered from GBL and identified as kaempferol-3-O-rutinoside (1) and kaempferol 3-O-26″-(6‴-p-coumaroyl) glucosylrhamnoside (KCGR) (2). In order to verify fishing results and pick out more powerful PCSK9 inhibitors, molecular docking assay was further performed and KCGR was optimized to be an excellent PCSK9 inhibitor by the confirmation of affinity and activity bioassay. These results suggested that the developed approach could be applied to screen and analysis potential bioactive constituents from mixtures, which may improve the efficiency of drug discovery. Moreover, KCGR separated from GBL was expected to be a potential candidate of PCSK9 inhibitors.

Bioassay-guided isolation of potential bioactive constituents from pomegranate agrifood by-product

Food industries are yielding annually plentiful by-products worldwide, these concomitants could be an excellent source of natural functional ingredients. Hence, the antimicrobial and cytotoxic effects of pomegranate husk were examined and chromatographic analyzes were applied for isolation of the bioactive compounds. Lignans; isohydroxymatairesinol, punicatannin C, flavonoids; phloretin, quercetin glycoside, indolamine; punigratane, and phenolic acid; coutaric acid were identified for the first time from pomegranate pericarp, and their structures were elucidated by spectroscopic analysis. Compared to isolated compounds, which showed a weak cytotoxic effects, punicatannin C induced a moderate cytotoxic activity against HepG2 and MCF-7 cell lines. Phloretin and coutaric acid exhibited potent antimicrobial activity againstStaphylococcus epidermidis,while punigratane possesses the most substantial antimicrobial effect onMicrococcus kristinae. In conclusion, pomegranate agrifood by-product; phloretin, punigratane, and coutaric acid display remarkablemicrobicideeffects and could be used in medical, cosmetic, and food industries purposes as a safe, and economical alternative to synthetic agents.