Open Chemistry最新文献

{"title":"Two triazole-based coordination polymers: Synthesis and crystal structure characterization","authors":"Jing Li, Hongjiang Ren, Jiangtao Li, Liuchang Wang","doi":"10.1515/chem-2023-0211","DOIUrl":"https://doi.org/10.1515/chem-2023-0211","url":null,"abstract":"Here we reported two new triazole-based coordination polymers (CPs), i.e., [Zn(Hdatrz)(<jats:italic>μ</jats:italic> <jats:sub>2</jats:sub>-O)]<jats:sub> <jats:italic>n</jats:italic> </jats:sub> (1) together with [Mn(Hdatrz)(C<jats:sub>2</jats:sub>O<jats:sub>4</jats:sub>)]<jats:sub> <jats:italic>n</jats:italic> </jats:sub>·<jats:italic>n</jats:italic>(H<jats:sub>2</jats:sub>O) (2) (Hdatrz = 3,5-diamino-1,2,4-triazole), which were generated under solvothermal conditions. The influence of different metal ions on the structure and properties of CPs was investigated. The CPs’ whole structures have been completely characterized by the powder X-ray diffraction, Fourier transform infrared spectroscopy, and thermogravimetric analysis. It is noteworthy that, upon excitation at 390 nm, ligands of compounds 1 and 2, as well as the metal complexes, all exhibit luminescence at 432 nm.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140002149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green synthesis, characterization, and application of iron and molybdenum nanoparticles and their composites for enhancing the growth of Solanum lycopersicum","authors":"Maria Habib, Hina Fatima, Tauseef Anwar, Huma Qureshi, Samson O. Aisida, Ishaq Ahmad, Iftikhar Ali, Amal M. Al-Mohaimeed, Mohamed S. Elshikh, Sarah Abdul Razak, Asif Kamal","doi":"10.1515/chem-2023-0196","DOIUrl":"https://doi.org/10.1515/chem-2023-0196","url":null,"abstract":"Nanomaterials have become integral in various aspects of agricultural practices, including the development of nano-fertilizers for optimized crop nutrition. This study explores the application of green-synthesized iron (Fe) and molybdenum (Mo) nanoparticles, as well as their composites, using a guava leaf extract (GLE). The focus is on assessing their impact on nitrogen fixation and growth in tomato plants (<jats:italic>Solanum lycopersicum</jats:italic>). The nanoparticles were characterized through Fourier Transform Infrared Spectroscopy, Ultraviolet Diffused Reflectance Spectroscopy, Raman Spectroscopy, and X-ray diffraction analysis. The experiment involved two application methods (soil and direct plant spraying) with varying nanoparticle concentrations. Results indicate that the 1% composite nanoparticles applied to the soil and 3% Mo directly on plants yield the most favorable growth and nitrogen uptake in <jats:italic>S. lycopersicum</jats:italic>. Notably, the 1% composite treatment demonstrated significant enhancement in shoot length, number of branches, and shoot diameter at all three growth stages. Conversely, the 3% Mo treatment when applied directly to plants exhibited optimal results showing substantial shoot length, number of branches, and shoot diameter. Post-experimental soil nutrient analysis further revealed the nuanced effects of nanoparticle applications with 1% composite treatments enhancing nutrient availability compared to control and other concentrations. This research contributes to the evolving field of agri-nanotechnology emphasizing the importance of nanoparticle concentration and application method in influencing plant development and nutrient uptake, paving the way for sustainable agricultural practices.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139977683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phytochemical analysis, in vitro antioxidant and antifungal activities of extracts and essential oil derived from Artemisia herba-alba Asso","authors":"Faiza EL Hajli, Mohamed Reda Kachmar, Amine Assouguem, Riaz Ullah, Ahmed Bari, Khalil Hammani, Said Chakir, Rachid Lahlali, Essaïd Ait Barka, Ghizlane Echchgadda","doi":"10.1515/chem-2023-0200","DOIUrl":"https://doi.org/10.1515/chem-2023-0200","url":null,"abstract":"<jats:italic>Artemisia herba-alba</jats:italic> Asso is an endemic plant from North-East Morocco offering a diverse range of pharmacological, cosmetic, and agro-ecological uses. However, <jats:italic>Artemisia herba-alba</jats:italic> has not been well exploited in the field of plant protection (post-harvest diseases). This is why the main objective of the present study is to evaluate the antifungal and antioxidant activities of extracts or the essential oil of this plant. Antifungal activity was assessed against <jats:italic>Botrytis cinerea</jats:italic>, <jats:italic>Penicillium expansum,</jats:italic> and <jats:italic>Penicillium digitatum</jats:italic> using the agar dilution method for the aqueous extracts and fumigation for the essential oil. Antioxidant activity was assessed using the DPPH scavenging test and the FRAP ferric ion reduction capacity. The chemical composition of the extracts was determined by HPLC and that of the essential oil by GC-MS/MS. In addition, the polyphenol, flavonoid, and tannin content was determined using colorimetric methods. The results of this study showed that the total content of polyphenols (217.60 mg GAE/g E), flavonoids (43.59 mg QE/g E), and tannins (32.58 mg GAE/g E) was significantly higher (<jats:italic>p</jats:italic> ≤ 0.05) in the ethanolic extract than in the aqueous and hexanoic extracts. Moreover, the HPLC analysis of the aqueous extract revealed the presence of six compounds, namely, catechin, gallic acid, hydroxybenzoic acid, syringic acid, caffeic acid, and rutin. In addition, the ethanolic extract was found to contain seven phenolic compounds. On the one hand, 35 compounds were identified in the essential oil of <jats:italic>Artemisia herba-alba</jats:italic>, representing 99.7% of the total. According to this study, the dominant compounds in the essential oil of <jats:italic>Artemisia herba-alba</jats:italic> Asso are camphor (46.57%), endo-borneol (5.65%), eucalyptol (5.64%), and thymol (3.85%). Furthermore, the biological evaluation showed that the extracts and essential oil of <jats:italic>Artemisia herba-alba</jats:italic> have significant antioxidant and antibacterial activities. The findings show that <jats:italic>Artemisia herba-alba</jats:italic> is a plant that can be used as a source of antifungal chemicals to prevent putrefaction of foodstuffs and, more specifically, postharvest diseases.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139946006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemical composition and biological properties of Thymus capitatus plants from Algerian high plains: A comparative and analytical study","authors":"Noureddine Tamma, Naima Benchikha, Mohammed Messaoudi, Gianluca Caruso, Talha Bin Emran, Ayomide Victor Atoki, Adekunle Ismahil Adeniyi","doi":"10.1515/chem-2023-0192","DOIUrl":"https://doi.org/10.1515/chem-2023-0192","url":null,"abstract":"The <jats:italic>Lamiaceae</jats:italic> family contains bioactive medicinal compounds mostly used as ornamental plants and traditional medicine, as well as in the food, cosmetics, and pharmaceutical sectors. Common uses include treating high cholesterol, diabetes, respiratory diseases, heart disease, and food poisoning. These medicinal uses were linked to their components and numerous biological properties, including antimicrobial and antioxidants. The goal of this study was to investigate the phytochemicals and biological activities of the petroleum ether extract of <jats:italic>Thymus capitatus</jats:italic> plant from two different regions of eastern Algeria (Souk ahras and Guelma), as well as to extract volatile oils using a Clevenger device and then analyze by using GC-MS. The results revealed that the total amount of phenolic compounds was better in the phenolic extract of Souk Ahras (3.41 mg GAE g<jats:sup>−1</jats:sup>), while the amount of flavonoid compounds was higher in the region of Guelma (26.31 mg QE g<jats:sup>−1</jats:sup>). Following the quantification of phenolic compounds by HPLC, we observed that the phenolic extracts contained most of the standard compounds in variable proportions. Furthermore, we tested the antioxidant activity of the phenolic compounds electrochemically with the cyclic voltammetry method. We concluded that the highest antioxidant content was recorded in the Guelma region extract (3.17 mg GAE g<jats:sup>−1</jats:sup>). We have also evaluated the antioxidant activity by a chemical method using 2,2-diphenyl-1-picrylhydrazyl, and the results showed that the Guelma extract exhibited a high effectiveness in terms of IC<jats:sub>50</jats:sub>% values. When extracting the volatile oils, it was found that the highest yield was in the Guelma region","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139945865","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, characterization, in silico and in vitro studies of novel glycoconjugates as potential antibacterial, antifungal, and antileishmanial agents","authors":"Sher Wali Khan, Saira Nayab, Muhammad Naveed Umar, Momin Khan, Anila Iqbal, Nasir Ahmad, Haroon ur Rashid, Muhammad Ishaq Ali Shah, Naila Gulfam, Muhammad Zahoor, Riaz Ullah, Essam A. Ali","doi":"10.1515/chem-2023-0195","DOIUrl":"https://doi.org/10.1515/chem-2023-0195","url":null,"abstract":"In the present work, several new glycoconjugates (8a–e) were generated from glycopyranosyl-α-trichloroacetimidates (sugar-OTCA) as glycosyl donors and dimethyl-<jats:sc>l</jats:sc>-tartrate as an aglycone acceptor in good to excellent yields. In the synthetic protocol, various monosaccharides were transformed into pentaacetylated derivatives and then into glycopyranosyl-α-trichloroacetimidates. Afterward, the sugar-OTCA was reacted with dimethyl-<jats:sc>l</jats:sc>-tartrate using Schmidt’s trichloroacetimidate protocol to give the desired products. The newly synthesized glycoconjugates were characterized by FT-IR, <jats:sup>1</jats:sup>H, and <jats:sup>13</jats:sup>C-NMR spectroscopic analytical methods. All the target compounds (8a–e) were tested <jats:italic>in vitro</jats:italic> against various strains of bacteria and fungi at different concentrations. The results revealed that the target compounds had encouraging antibacterial and antifungal potential. The antileishmanial activity of the target compounds against Leishmania tropica promastigotes was also investigated. The <jats:italic>in vitro</jats:italic> results were further supported by the <jats:italic>in silico</jats:italic> docking study that indicated minimum values of the docking scores and binding energies for the resulting complexes obtained by the favorable interactions between the target compounds (8a–e) and the selected strains of bacteria and fungi. The docking results proposed promising antibacterial and antifungal activities of the target compounds (8a–e) against the selected bacterial and fungal species.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139752296","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sonochemical synthesis of gold nanoparticles mediated by potato starch: Its performance in the treatment of esophageal cancer","authors":"Mingwei Liu, Xiaolei Xue, Bikash Karmakar, Waleed Eltantawy, Attalla F. El-kott, Emam M. El. Nashar, Eman M. Abd-Ella","doi":"10.1515/chem-2023-0193","DOIUrl":"https://doi.org/10.1515/chem-2023-0193","url":null,"abstract":"Economically viable and eco-friendly potato starch (PS) was employed to synthesize Au NPs under ultrasound irradiation. PS phytochemicals have the function of a green reductant as well as an efficient stabilizer template to cap and synthesize gold nanoparticles. Transmission electron microscopy (TEM), UV-Vis spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX) were applied to investigate the structure of the synthesized PS-Au NPs nanocomposite. FESEM results showed that the obtained Au NPs were spherical and ∼30 nm in diameter; their crystalline nature was detected by XRD and TEM data. PS-Au NP nanocomposite shows high antioxidant effects against DPPH. The colorimetric MTT investigation was followed in the determination of anti-esophageal cancer properties of the PS-Au NP nanocomposite against KYSE-30 and FLO-1 cell lines. The findings indicate that in 3 days, the cancer cell survival percentage in various dilations reduced as much as the PS-Au NP nanocomposite concentration increased. The best anti-cancer effect of the PS-Au NP nanocomposite was reported at 1,000 μg/mL dilation. Through MTT cytotoxicity analysis the half-maximal inhibitory concentration of PS-Au nanocomposite or IC50 values against the KYSE-30 and FLO-1 esophageal carcinoma cells were found as 125 and 176 μg/mL, respectively. The data indicated that these PS-Au NP nanocomposites inhibited esophageal cancer cells more strongly than normal cells.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139752247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploitation of mangliculous marine fungi, Amarenographium solium, for the green synthesis of silver nanoparticles and their activity against multiple drug-resistant bacteria","authors":"Mohamed S. Hodhod, Abdel-Rhman Z. Gaafar, Bandar M. AlMunqedhi, Abdalla Elzein, Abdelmalik M. Abdelmalik","doi":"10.1515/chem-2023-0184","DOIUrl":"https://doi.org/10.1515/chem-2023-0184","url":null,"abstract":"The green synthesis pathway for silver nanoparticles (AgNPs) used in bacterial treatment is regarded as crucial because of its cost-effectiveness, nontoxicity, and eco-friendliness. During the present work, the mangliculous marine fungi <jats:italic>Amarenographium solium</jats:italic> isolated from the Arabian Gulf Coast of Saudi Arabia were utilized for the synthesis of AgNP, through the bio-reduction of aqueous silver nitrate (AgNO<jats:sub>3</jats:sub>) solution. The success in AgNP synthesis was visually identified by the development of dark brown color in the cell-free filtrate and was further confirmed by ultraviolet–visible spectroscopy, which showed a peak at 425 nm. The AgNPs produced were further characterized using X-ray diffraction data analysis that proved the bioreduction of silver to 20 nm, and transmission electron microscopy revealed the formation of well-dispersed spherical nanoparticles with an average mean size of 12 nm. The optimization reaction parameters of temperature, pH, and metal salt concentration were carried out and resulted in a combination of 30°C, 7 and 1.5 mM, respectively, for rapid and maximum yield production. The antibacterial activity of the produced nanoparticles was evaluated using the two-fold microdilution method and showed a minimum inhibitory concentration of 9.375 μg/mL of AgNP against multiple drug-resistant bacterial strains.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139752240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phytochemical study, antioxidant activity, and dermoprotective activity of Chenopodium ambrosioides (L.)","authors":"Soufiane Drioua, Otman El-Guourrami, Amine Assouguem, Mouna Ameggouz, Mohammed Kara, Riaz Ullah, Ahmed Bari, Ahmed Zahidi, Azra Skender, Hanane Benzeid, Anass Doukkali","doi":"10.1515/chem-2023-0194","DOIUrl":"https://doi.org/10.1515/chem-2023-0194","url":null,"abstract":"<jats:italic>Chenopodium ambrosioides</jats:italic>, a member of the Chenopodiaceae family, is renowned for its toxic properties. Despite its toxicity, it has been traditionally utilized in various communities, particularly in pediatric contexts, for its vermifuge, antispasmodic, and antipyretic attributes. This study aims to unravel the phytochemical composition present in organic fractions and aqueous extracts obtained from the aerial components of <jats:italic>C. ambrosioides</jats:italic>. Furthermore, our objective is to evaluate the antioxidant activity of these extracts and fractions, coupled with a comprehensive examination of their toxicological effects. Polyphenols were quantified using the Folin–Ciocalteu reagent, flavonoids via the aluminum trichloride reagent AlCl<jats:sub>3</jats:sub>, and tannins using the vanillin method. Identification of bioactive compounds within the plant specimen was accomplished through GC-MS spectrophotometric analysis. The assessment of antioxidant activity employed DPPH, ferric (Fe<jats:sup>3+</jats:sup>) ion antioxidant reducing power (FRAP), ABTS, and TAC methods, with quercetin, catechin, and ascorbic acid serving as standards. Dermoprotective activity was studied using the ultraviolet absorption test. The GC-MS analysis conducted on the aqueous extracts (EAI and EAM) and assorted fractions (FCH, FE, FB, and FA) revealed the presence of diverse chemical families encompassing alcohols, acids, terpenes, steroids, and phenolic compounds. The components identified in the investigated samples, including <jats:italic>trans</jats:italic>-ascaridol glycol, palmitic acid, phenol, octadecadienoic acid, isoascaridol, eicosanoic acid, 2-methoxy-4-vinyl phenol, mexiletine, and thymol, are postulated as potential contributors to the observed antioxidant activity inherent in the plant extracts and fractions. Our findings highlight the remarkable antioxidant potential of <jats:italic>Chenopodium ambrosioides</jats:italic>, with the ethyl acetate fraction exhibiting the highest activity (IC<jats:sub>50</jats:sub> = 0.54 mg/ml) in the DPPH test. In the FRAP and ABTS tests, the <jats:italic>n</jats:italic>-butanolic and ethyl acetate fractions demonstrated superior activity (IC<jats:sub>50</jats:sub> = 4.43 mg/ml, 12.9 mg/ml and IC<jats:sub>50</jats:sub> = 1.6 mg/ml, 4.54 mg/ml, respectively). Conversely, the TAC test revealed that the macerated aqueous extract displayed the highest activity (316.33 mg Eq AG/g), followed closely by the <jats:italic>n-</jats:italic>butanolic fraction (250.67 mg Eq AG/g). These outcomes can be attributed to the abundant presence of phenolic compounds in the <jats:italic>n-</jats:italic>butanolic and ethyl acetate fractions, as well as the macerated aqueous extract, playing a pivotal role in the observed antioxidant activity. Additionally, our investigation of the dermoprotective activity demonstrated robust efficacy in the ethyl acetate fraction (FE) and the <jats:italic>n-</jats:italic>bu","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139678727","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Impact of biogenic zinc oxide nanoparticles on growth, development, and antioxidant system of high protein content crop (Lablab purpureus L.) sweet","authors":"Ahmed A. Qahtan, Abdulrahman A. Alatar, Abdalrhaman M. Salih","doi":"10.1515/chem-2023-0189","DOIUrl":"https://doi.org/10.1515/chem-2023-0189","url":null,"abstract":"<jats:italic>Lablab</jats:italic> (<jats:italic>Lablab purpureus</jats:italic> L.) Sweet “white” is a vegetable crop belonging to the Fabaceae family, and it has been used in many ways as food, ornamental plant, green manure, and medicinal. In contrast, zinc oxide nanoparticles (ZnO NPs) play an important role in plant growth and development. The aim of this current study was to investigate the impact of biogenic ZnO NPs on the growth, development, and antioxidant system of <jats:italic>L. purpureus</jats:italic> (Sweet). Thus, different concentrations (0.0, 10, 25, 50, and 100 mg/L) of biogenic ZnO NPs were used. The seeds of <jats:italic>Lablab</jats:italic> were immersed into the concentrations of ZnO NPs for 24 h and cultivated in sterilized soil. Next, after 2 months of growth under greenhouse conditions, the morphological and physico-biochemical parameters were evaluated. In general, the recorded results showed that the biogenic ZnO NPs have a significant impact on germination, fresh and dry biomass of the <jats:italic>Lablab</jats:italic> crop. The same results were observed with photosynthetic pigments, carotenoids, total protein content, enzyme activity, and phenolic comments. Also, the accumulation of nutrients such as nitrogen and zinc in edible tissue was increased in response to the addition of ZnO NPs. Moreover, the scavenging ability of sample methanolic extract to diphenyl-2-picryl-hydrazyl, azino-bis-3-ethylbenzothiazoline-6-sulfonic acid, and hydrogen peroxide was affected by the addition of biogenic ZnO NPs. Furthermore, the level of gene expression under ZnO NPs can be investigated for a better understanding of the process that leads to improving the growth and development of crops.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139582509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phytochemicals profiling, in vitro and in vivo antidiabetic activity, and in silico studies on Ajuga iva (L.) Schreb.: A comprehensive approach","authors":"Mosleh M. Abomughaid, Fatma A. A. El-Shibani, Abdulnaser Kh. Abdulkarim, Amr S. Abouzied, Ghassan M. Sulaiman, Ali M. Abomughayedh, Munira M. F. Abdulsayid, Salim Albukhaty, Naema Elrmali, Ali Z. Al-Saffar, Hend A. El-khawaga, Hamdoon A. Mohammed","doi":"10.1515/chem-2023-0191","DOIUrl":"https://doi.org/10.1515/chem-2023-0191","url":null,"abstract":"<jats:italic>Ajuga iva</jats:italic> (L.) Schreb. is a well-known antidiabetic medicinal plant used for several traditional medicine aspects in different areas of the world, including Libya. This study includes phytochemical analysis, antidiabetic evaluation, and <jats:italic>in silico</jats:italic> studies of the plant, <jats:italic>A. iva</jats:italic>, growing in Libya. The constituents of the plant were profiled using LC-MS/MS-QTOF analysis, and a total of 28 compounds were tentatively identified, including engeletin, pyrocatechol, eriodyctiol-7-hexoside, and 3,4-dihydroxybenzaldehyde, as major constituents. In addition, the steroidal compounds, i.e., 20-hydroxyecdysone, 24-dehydroprecyasterone, makisterone A, and ajugasterone D, which are considered chemomarkers for the plant, were also annotated by LC-MS analysis. The plant extract induced inhibition of α-amylase and α-glucosidase enzymes at IC<jats:sub>50</jats:sub> values of 0.18 and 0.12 mg/mL, compared to the IC<jats:sub>50</jats:sub> of the standard acarbose at 0.11 and 0.09 mg/mL, respectively. Fasting blood glucose (FBG, 360.7 mg/dL) levels were significantly reduced by the treatment of streptozotocin (STZ)-diabetic animals with 400 mg/kg (140.5 mg/dl) and 500 mg/kg (112.3 mg/dL) doses of the plant extract. The plant extract also induced a significant (<jats:italic>p</jats:italic> &lt; 0.01) increase in insulin serum level compared to the untreated diabetic rats; however, the higher dose of the plant induced similar insulin induction compared to glibenclamide. Histopathological examination of the pancreatic and liver tissues indicated that <jats:italic>A. iva</jats:italic> extract induced regeneration in the islets of Langerhans and liver cells compared to the untreated diabetic rats. Docking analysis demonstrated that eriodyctiol-7-hexoside, echinacoside, and 2″-galloylhyperin showed the lowest binding energies to the target sites of α-amylase and α-glucosidase enzymes, indicating their potential role in <jats:italic>A. iva</jats:italic> antidiabetic bioactivities. The results support the recorded traditional bioactivity of <jats:italic>A. iva</jats:italic> as an antidiabetic herb, whereas its contents of polyphenols play a major role in the plant’s antidiabetic effect.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139551809","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}