Natural Product Communications最新文献

{"title":"Effect of Lavender Essential Oil Topical Treatment on the Autonomic Nervous System in Human Subjects Without Olfactory Influence: A Pilot Study","authors":"Tadaaki Satou, Yukino Koutoku, Taiga Touma, Ryuto Tomiyama, Ayumi Ishikawa, Kai Odato","doi":"10.1177/1934578x241275321","DOIUrl":"https://doi.org/10.1177/1934578x241275321","url":null,"abstract":"Objective/backgroundAs part of a scientific study into the effects of aromatherapy, we investigated the effects of lavender essential oil (LEO) treatment on the autonomic nervous system in subjects for whom the sense of smell had been eliminated.MethodsThis study used a single-blinded cross-over design for verification. Heart rate variability was measured and effects on the autonomic nervous system were investigated.Results and discussionAlthough no significant differences were found, aromatherapy treatment with 1% LEO tended to increase parasympathetic nervous system activity. Further, when differences between values before and during aromatherapy treatment were compared, LEO treatment significantly increased parasympathetic nervous system activity. Given these findings, LEO appears to increase parasympathetic nervous system activity, even in the absence of a psychological effect due to an absence of olfactory stimulation.ConclusionThe present results provide a scientific method for verifying the effects of aromatherapy and will aid in further elucidation of aromatherapy.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"45 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanism of Action of Qingrekasen Granules in Alleviating Nephrotic Syndrome Evaluated by a Multi-Omics Approach","authors":"Shanshan Wang, Wangqiang Dai, Zhuang Huang, Jiajing Liu, Hailing Huang, Yan Ye, Pengyu Chen, Bailu Duan, Qi Jiang, Yuxin Wen, Lintao Han, Jingjing Li","doi":"10.1177/1934578x241272658","DOIUrl":"https://doi.org/10.1177/1934578x241272658","url":null,"abstract":"ObjectivesIn this study, the efficacy of and mechanism of Qingrekasen Granules (QRKSG) is evaluated by metabolomics and transcriptomics using adriamycin (ADR)-induced nephrotic syndrome (NS) in rat model.MethodsThe model, benazepril, and QRKSG group received a single injection of 6.5 mg/kg ADR via the tail vein of the rats. The untreated group received an equal saline injection. The administration of drugs by gavage began after completing the modeling for one week. Benazepril was given at 0.9 mg/kg/d to the benazepril group and QRKSG was given at 1.62 g/kg/d to the QRKSG group. During gavage, 24 h urine was collected weekly. After four weeks of gavage, rats were anesthetized, and we collected the serum, feces, and kidney samples. The protective effect of QRKSG on NS was assessed by the detection of proteins in the urine at 24 h and serum biochemical indexes, as well as histopathological observation, TUNEL assay, and Western Blot of kidney samples. Moreover, gas chromatography-mass spectrometry (GC-MS) metabolomics sequencing of kidney metabolites helped investigate the significant differential metabolites produced by QRKSG that are implicated in ameliorating the pathological damage to the kidneys of NS rats. Subsequently, the significant targets of QRKSG that had an impact on the action of drugs were investigated by a transcriptome sequencing analysis. The correlation between both sets was also investigated. In addition, the effect of QRKSG on the gut microbiota of NS rats was investigated. Finally, the core targets were validated by molecular docking.ResultsThe results indicated that QRKSG possess significant renoprotective effects in NS rats by reversing the abnormal urinary protein content and serum biochemical disorders, as well as improving renal pathological damage. Multiple genes and metabolites were shown to be back-regulated after QRKSG delivery, based on further multi-omics studies. The integrated metabolomics and transcriptomics analysis showed that QRKSG alleviated NS mainly by regulating amino acid metabolic pathways. Gut microbiota analysis demonstrated that QRKSG could alleviate NS by improving gut microbiota. The molecular docking results showed good binding ability of the QRKSG active ingredient to the core target, and among them, the ingredients with the best docking effect were mainly flavonoids and phenolic acid ingredients. The combined metabolomics and transcriptomics study findings were validated through a TUNEL assay and a Western Blot analysis.ConclusionWe have concluded that ADR-induced NS in rats can be treated with QRKSG. The mechanisms used by QRKSG to reduce the symptoms of NS are through the multi-component, multi-target, and multi-pathway therapeutic modulation of inflammation, oxidative stress, energy homeostasis, and apoptosis. Additionally, QRKSG could alleviate NS by regulating gut microbiota.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"16 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142177340","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phytochemical Content, In Vitro Antioxidant, and Cholinesterase Inhibitory Activities Determination of Endemic Linaria corifolia Desf","authors":"Melike Utlu, Dilek Ercil","doi":"10.1177/1934578x241272734","DOIUrl":"https://doi.org/10.1177/1934578x241272734","url":null,"abstract":"Objective: In our study, we researched the chemical composition of Linaria corifolia Desf. We also tested in vitro antioxidant, and anticholinesterase activities of different extracts, and compounds from L. corifolia. Methods: We isolated from ethyl acetate and n-butanol extracts of L. corifolia aerial parts. We used various spectroscopic methods. We also compared the results with data in the literature. This allowed us to determine the structure of the compounds. We used different spectroscopic methods and comparisons with literature data to determine the structure of the compounds. We evaluated the antioxidant activities of 20% aqueous methanol, ethyl acetate, and n-butanol extracts using DPPH, ABTS Radical Scavenging Effect, and CUPRAC Assay, and also examined total phenol and flavonoid contents. We used Ellman's method to find the cholinesterase inhibitor activities of the extracts, and isolated compounds. Results: We isolated 6 compounds in ethyl acetate and n-butanol extracts. These compounds have terpenoid (iridoid glycosides), and phenolics (flavonoid, and phenylpropanoid structures). We isolated linariin and acteoside (verbascoside) from ethyl acetate. We isolated antirrhinoside, 6-ß-Hydroxyantirrhide, catalpol, and aucubin from n-butanol extract. The ethyl acetate extract was most active in all antioxidant methods due to its high phenolic content. In contrast to phenolic content, n-butanol extract had more flavonoids. The ethyl acetate extract had higher acetylcholinesterase inhibitory activity at 200 and 400 μg/ml. Linariin had the highest acetylcholinesterase inhibitory effect among the pure compounds. The extracts and pure compounds inhibited butyrylcholinesterase less than acetylcholinesterase. Conclusion: The isolated compounds are new compounds for the L. corifolia plant. The plant's cholinesterase inhibitor activity was investigated for the first time. We found low anti-acetylcholinesterase and butyrylcholinesterase activities.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"28 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141933073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discovery of α-Glucosidase/Acetylcholinesterase Inhibitors from a Traditional Herbal Prescription of Qi-Li-Qiang-Xin Capsule by Time-Based Fractionation and Enzymatic Activity Assay","authors":"Hui-Peng Song, Ming-Yue Zhao, Zhi-Li Xu, Jia-Nuo Zhang, Wen-Yu Wang, Zi-Xuan Ding, Ying Wang, Li-Bin Zhan, Xi Chen, Ruo-Nan Li, Yue-Hua Chen","doi":"10.1177/1934578x241272684","DOIUrl":"https://doi.org/10.1177/1934578x241272684","url":null,"abstract":"ObjectivesThe aim is to discover α-glucosidase/acetylcholinesterase inhibitors as lead compounds from a traditional herbal prescription of Qi-Li-Qiang-Xin capsule (QLQX).MethodsA novel strategy combining time-based fractionation, LC-QTOF-MS, enzymatic activity assay, molecular docking and component-target association analysis was performed to discover α-glucosidase/acetylcholinesterase inhibitors from QLQX. Time-based fractionation combined with enzymatic activity assay was used to find the distribution period of active compounds in the herbal prescription. LC-QTOF-MS was used to analyze the structure of active compounds. Molecular docking was applied to explore the interaction between active compounds and targets.ResultsAccording to time-based fractionation, the active components of QLQX for acetylcholinesterase were primarily concentrated in the highly polar region, whereas the active components for α-glucosidase were predominantly found in the moderately polar area. A total of 33 compounds were identified by comparing with chemical reference substances. Dihydrotanshinone Ⅰ (16.98 µM), hydroxysafflor yellow A (84.57 µM), salvianolic acid A (76.62 µM) and cryptotanshinone (112.68 µM) were identified as acetylcholinesterase inhibitors from QLQX. Similarly, rosmarinic acid (62.29 µM), isochlorogenic acid A (17.95 µM), 4,5-dicaffeoylquinic acid (117.93 µM), danshensu (207.88 µM), salvianolic acid A (1.31 µM), 3,4-dicaffeoylquinic acid (91.71 µM), formononetin (67.26 µM), ginsenoside Rd (3.43 µM), ginsenoside Rb1 (26.37 µM) and ginsenoside F1 (18.79 µM) were discovered as α-glucosidase inhibitors. Notably, salvianolic acid A inhibited both acetylcholinesterase and α-glucosidase. The results of molecular docking indicated that hydrogen bonds, hydrophobic interactions and Pi-Pi T-shaped interactions were crucial for inhibiting acetylcholinesterase. Meanwhile, hydrogen bonds, hydrophobic interactions and Pi-Pi stacked interactions were significant in suppressing α-glucosidase.ConclusionQLQX contains numerous acetylcholinesterase and α-glucosidase inhibitors, demonstrating its potential therapeutic benefits for Alzheimer's disease and diabetes.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"85 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141932957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anti-inflammatory, Antioxidant, and Gastro-Protective Actions of Cardamom Essential Oil-Loaded Nanostructured Lipid Carrier in Ethanol-Induced Gastric Ulcer","authors":"Raz Nawzad Mohemmad, Basima Sadq Ahmed, Van Abdulqader Ahmed, Serwan Mohemmad Ismail, Heshu Sulaiman Rahman","doi":"10.1177/1934578x241272492","DOIUrl":"https://doi.org/10.1177/1934578x241272492","url":null,"abstract":"Background: Elettaria cardamomum possesses a variety of beneficial effects. Thus, we aimed to investigate cardamom essential oil-loaded nanostructured lipid carrier (CEO-NLC) gastro-protective effects in an ethanol-induced gastric ulcer in a rat model. Materials and Methods: Forty male albino rats of the Wistar strain were assigned into eight groups. Pretreatment of animal groups with the low (300 mg/kg) and high (600 mg/kg) doses of CEO-NLC alleviates the pathological damage. It significantly reduces the ulcer areas induced by ethanol in rats, reducing pH, gastric-free, and total acidity measurements. Omeprazole 20 mg/kg was utilized as a reference medication to compare its effect with CEO-NLC. Results: Treatment with CEO-NLC increases total antioxidant capacity and suppresses oxidative damage of the stomach by lowering malonaldehyde (MDA) levels. Furthermore, inflammatory infiltration in groups treated with CEO-NLC is alleviated by decreasing the release of pro-inflammatory cytokines, including IL-6 and TNF- α, and increasing anti-inflammatory IL-10. Administration of CEO-NLC, either at prophylactic or therapeutic doses, significantly reduces gastrin levels. Conclusion: CEO-NLCs demonstrated curative effects in inhibiting ethanol-induced gastric damage, which is related to suppressing gastric inflammation and oxidative stress. Thus, CEO-NLC might enhance the management of gastric ulcers.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"57 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141933074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparison of the Efficacy and Safety of 12 Chinese Patent Medicines for Treating Primary Osteoporosis Patients: A Systematic Review and Network Meta-Analysis","authors":"Qinglin Peng, Jie Han, Ruiqi Wu, Yukun Wu, Feng Chen, Yu Lai","doi":"10.1177/1934578x241271671","DOIUrl":"https://doi.org/10.1177/1934578x241271671","url":null,"abstract":"Objective: To elucidate the effectiveness and safety of different traditional Chinese medicines (TCMs) for treating primary osteoporosis (POP) using network meta-analysis. Materials and Methods: We conducted a systematic review and network meta-analysis to assess the efficacy and safety of Chinese patent medicine (CPM) combined with conventional Western medicine for POP treatment. From March 5, 2004, to March 5, 2024, electronic databases such as the Cochrane Library, VIP, PubMed, Embase, CBM, Wanfang, CNKI, and Web of Science were comprehensively searched. Only randomized controlled trials (RCTs) were included in this systematic review. After screening and data extraction, the Cochrane risk of bias evaluation tool was utilized to assess the methodological quality of the included studies. Stata 15.1 was utilized to synthesize the data. Results: In total, 44 studies involving 4859 patients were included. There were 2577 patients in the treatment group and 2282 in the control group, with 12 types of CPMs. Qing'e Pill, in combination with conventional treatment, significantly improved the total effective rate [relative risk (RR) = 2.57, 95% confidence interval (CI) (1.32, 5.00)]. In combination with conventional treatment, Liuwei Dihuang Pill significantly increased the bone mass density (BMD) of the lumbar spine [WMD = 0.17, 95% CI (0.05, 0.28)] and femoral neck [WMD = 0.23, 95% CI (0.11, 0.35)]. Furthermore, Hugu capsules effectively decreased the VAS score [WMD = −2.48, 95% CI (−3.85, −1.11)]. The presence of the genus Gusongbao markedly decreased the serum ALP concentration [WMD = −15.67, 95% CI (−32.73, 1.39)]. In all studies, no serious adverse reactions were noted, with most studies suggesting only mild gastrointestinal reactions. Conclusions: CPM and conventional treatment combo enhances POP therapy; each CPM offers unique benefits. More high-quality RCTs needed for conclusions. Meds tailored to patient traits in clinics.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"2 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141933075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of the Anti-Diabetic Potential of Coccinia barteri (Hook.F.) Leaf Using in Vitro and in Silico Molecular Docking Approaches","authors":"Sabastine Obinna Onugwu, Patrick Ebele Obi, Ginikachukwu Okoh, Adaeze Linda Onugwu, Rosemary Chidera Madubugwu, Tracy Osita, Ogochukwu Henrietta Nnamani, Uchenna Estella Odoh, Christopher Obodike Ezugwu","doi":"10.1177/1934578x241271633","DOIUrl":"https://doi.org/10.1177/1934578x241271633","url":null,"abstract":"Objectives/BackgroundSeveral plants with various chemical constituents have been widely explored for managing diabetes mellitus. One of the most common strategies is the inhibitors of the α-amylase and α-glucosidase, key regulatory enzymes in diabetes. This study aims to investigate the anti-diabetic activity of methanolic extract of Coccinia barteri leaves using in vitro α-amylase enzyme inhibition assay and in silico molecular docking study.MethodsThe dried pulverized leaf of Coccinia barteri was extracted by maceration using methanol. Qualitative and quantitative phytochemical analyses of the powdered leaf extract were carried out using standard procedures. The extract was fractionated using n-hexane, ethyl acetate, n-butanol and aqueous methanol. In vitro anti-diabetic study of the different fractions and sub-fractions was investigated by α-Amylase Inhibition Assay. Sub-fractions of the ethyl acetate fraction of C.barteri leaf with the highest in vitro anti-diabetic activity were subjected to GC-MS analysis. The compounds detected by GC-MS were selected as ligands for α-amylase and α-glucosidase in the molecular docking study.ResultsThe phytochemical analysis revealed the presence of saponins, alkaloids, tannins, glycosides, steroids, flavonoids, and cyanide. Compared to the control drug, the ethyl acetate fraction of Coccinia barteri leaf gave a 2-fold lower IC<jats:sub>50</jats:sub>. GCMS chromatogram of the most active sub-fraction revealed the presence of 18 major compounds. Piperine showed good binding affinity (−6.9 kcal/mol) to α-amylase and displayed hydrogen bonding with ARG 344 and HIS 210, along with pi alkyl bonds with TRP 83, HIS 80, LEU 166, and LEU 232. For α-glucosidase, piperine and 2,4-di-tertbutylphenol surpassed the standard with binding energies of −7.1 kcal/mol and - 6.9 kcal/mol, respectively. Drug likeness and toxicity assessments confirmed adherence to Lipinski's rule, with both compounds showing non-mutagenic and non-tumorigenic properties.ConclusionThe ethyl acetate fraction of the Coccinia barteri leaf exhibits potential anti-diabetic activity, which may be attributed to the inhibition of α-amylase and α-glucosidase, by its constituents, piperine and 2,4-di-tertbutylphenol.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"38 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141933076","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Xanthine Oxidase Inhibitory Activity of Some Vietnamese Remedies Used to Treat Bi Syndrome in Traditional Medicine","authors":"Duc Phan Nguyen Duong, Chen Van Tran, My-Duyen Thi Chung, Bay Thi Nguyen, Triet Thanh Nguyen","doi":"10.1177/1934578x241269432","DOIUrl":"https://doi.org/10.1177/1934578x241269432","url":null,"abstract":"BackgroundHyperuricemia is a metabolic disorder caused by abnormalities in purine metabolism that increase serum uric acid. Some traditional medicine remedies have been proven to cause hypouricemia by inhibiting xanthine oxidase. In Vietnam, some remedies that eliminate wind, cold, and dampness have been used to treat gouty arthritis, but there is still a lack of scientific evidence regarding the underlying biological mechanisms involved. This study aimed to assess the xanthine oxidase inhibitory activity in vitro and the hypouricemic effects of several Vietnamese remedies used to treat Bi syndrome in traditional medicine.MethodsThe chosen remedies that met our criteria were successively extracted with 70% ethanol. A preliminary investigation of the chemical composition of the extracts was performed by common chemical reactions. The in vitro xanthine oxidase inhibitory activity of the extracts was investigated using the procedure of Noro et al (1983). Acute toxicology and hypouricemic effect of the remedy that showed the highest xanthine oxidase inhibitory activity were investigated in vivo using a potassium oxonate-induced hyperuricemic mouse model.ResultsFive remedies that met the criteria were chosen. Phytochemical screening of all the extracts revealed the presence of flavonoids, saponins, alkaloids, tannins, and carbohydrates. The Bai nghiem phuong 2 extract did not show xanthine oxidase inhibitory activity whereas the Thang Tri Te Thap extract, which exhibited the highest inhibitory xanthine oxidase activity with an IC<jats:sub>50</jats:sub> value of 48.33 ± 0.41 µg/mL, was selected for the subsequent in vivo experiments. The Thang Tri Te Thap extract did not cause acute toxicity, with a D<jats:sub>max</jats:sub> of 31.67 g/kg. At doses of 1.5 g/kg and 3 g/kg, Thang Tri Te Thap significantly reduced the serum uric acid concentration by 59.84 ± 5.79% and 65.01 ± 12.73%, respectively (p &lt; 0.05).ConclusionsThang Tri Te Thap showed xanthine oxidase inhibitory activity in vitro and hypouricemic effects in vivo.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"3 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141932954","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sandwich-Like Complexation of Carbohydrates by Hydrogen Bonding and CH-π Interactions","authors":"Linda Köhler, Stefan Kaiser, Monika Mazik","doi":"10.1177/1934578x241258352","DOIUrl":"https://doi.org/10.1177/1934578x241258352","url":null,"abstract":"Introduction: The design of carbohydrate-binding agents (artificial carbohydrate receptors) that enable selective and effective biomimetic recognition via noncovalent interactions is aimed either at a better understanding of natural recognition phenomena or at various potential applications in medicine and other fields. Although very interesting artificial receptors have been developed, the exact prediction of the receptor selectivity remains a challenge. Results and Methods: A molecular architecture based on a 1,3,5-substituted 2,4,6-triethylbenzene backbone bearing two aminopyridine- or aminopyrimidine-based recognition units and a purine moiety, which acts as both a hydrogen bonding site and a bridging component for the incorporation of additional substituents, has proved to be very useful for the development of effective carbohydrate-binding agents. This type of compounds has the ability to bind suitable carbohydrates through combined noncovalent interactions, where CH···π interactions can be formed on both faces of the carbohydrate substrate. The successful syntheses of the target compounds can be realized by the use of microwave irradiation and sealed tubes. The performed binding studies included <jats:sup>1</jats:sup>H NMR spectroscopic titrations and measurements by isothermal titration calorimetry. Conclusion: The new compounds were developed as artificial receptors especially for carbohydrates with an all-equatorial substitution pattern and have the ability to predictably form strong 1:1 complexes with a suitable substrate. The use of the purine moiety in the construction of carbohydrate receptors with a 1,3,5-substituted 2,4,6-triethylbenzene backbone has proved to be a very promising approach. The possibilities for structural variation of this molecular architecture are manifold. As a result, a wide range of compounds can be synthesized to perform extensive studies on the relationships between structure and binding efficiency.Graphical AbstractShort Text: New compounds were developed as artificial receptors especially for carbohydrates with an all-equatorial substitution pattern and have the ability to predictably form 1:1 complexes with a suitable substrate. Key Topics: Artificial carbohydrate receptors; Combination of hydrogen bonding and CH۔۔۔π interactions; Molecular recognition","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"1 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141933077","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Inhibitory activities of Aruncus dioicus alkaloidal glycosides against protein tyrosine phosphatase 1B and α-glucosidase: A methodical theory-experiment investigation","authors":"Phi-Hung Nguyen, Thanh Q. Bui, Thi-Tuyen Tran, Thi-Thuc Bui, Thi-Thuy Do, Dao-Cuong To, Manh Hung Tran, Phan Tu Quy, Nguyen Quang Co, Nguyen Vinh Phu, Nguyen Thi Ai Nhung","doi":"10.1177/1934578x241271648","DOIUrl":"https://doi.org/10.1177/1934578x241271648","url":null,"abstract":"Objective: Aruncus dioicus has been known by the scientific literature and folk experiences for its diverse biological activities, including anti-hyperglycemic effects. Methodology: The aerial parts of the plant collected from Quan Lan Island (Vietnam) were subjected to a methodical theory-experiment investigation for its chemical composition and biological potentials. Results: Firstly, experimental isolation and spectroscopic characterization identified the compositional compounds, ie sambunigrin (1), prunasin (2), uridine (3), and adenosine (4). Secondly, their elucidated structures were predicted with promising bio-chemo-pharmacological potentiality by different computational platforms, ie: docking simulation (docking scores &lt; 10 kcal.mol<jats:sup>−1</jats:sup>); quantum calculation (dipole moments &lt; 3 Debye); QSARIS model (satisfying Lipinski's rule of five); SwissADME model (satisfying Pires’ interpretations). Finally, the compounds (1-4) were under accumulative purification and in vitro tests against diabetes-related enzymes, ie: protein tyrosine phosphatase 1B (1 with lowest IC<jats:sub>50</jats:sub> value 0.39 ± 0.26 μM, 2 with no activity) and α-glucosidase (1 with lowest IC<jats:sub>50</jats:sub> value 44.89 ± 0.93 μM, 2 with no activity); also, the inhibitory kinetics based on Lineweaver-Burk and Dixon plot experiments revealed the competitive inhibition mode of 1 against PTP1B ( K<jats:sub>i</jats:sub> value 0.49 μM). Conclusions: Altogether, the results obtained suggest that A. dioicus and its bioactive compounds, especially sambunigrin (1), uridine (3), and adenosine (4), could be considered as a natural source for further research and development of anti-diabetic agents.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"119 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141933078","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}