Open Chemistry最新文献

{"title":"Optimization of polyphenol extraction, phenolic profile by LC-ESI-MS/MS, antioxidant, anti-enzymatic, and cytotoxic activities of Physalis acutifolia","authors":"Larbi Derbak, Hamdi Bendif, Radia Ayad, Chawki Bensouici, İlyas Yildiz, Ibrahim Demirtas, Khellaf Rebbas, Gabriel Plavan, Naoufel Ben Hamadi, Abdelghafar M. Abu-Elsaoud, Maryam M. Alomran, Sadin Özdemir, Fehmi Boufahja","doi":"10.1515/chem-2024-0040","DOIUrl":"https://doi.org/10.1515/chem-2024-0040","url":null,"abstract":"Graphical abstract <jats:fig fig-type=\"graphical\"> <jats:graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"graphic/j_chem-2024-0040_ga_001.jpg\"/> </jats:fig>","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"36 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141146858","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":"Assessment of anti-diabetic properties of Ziziphus oenopolia (L.) wild edible fruit extract: In vitro and in silico investigations through molecular docking analysis","authors":"R. Shunmuga Vadivu, Senthil Bakthavatchalam, Vasthi Gnana Rani, Abdurahman Hajinur Hirad, Zhi-Hong Wen, Chien-Han Yuan, Ramachandran Vinayagam","doi":"10.1515/chem-2024-0032","DOIUrl":"https://doi.org/10.1515/chem-2024-0032","url":null,"abstract":"Globally, healthcare is concerned about the rising prevalence of type 2 diabetes. Phytochemicals from medicinal plants have shown great promise in improving human health. The present study aimed to determine the secondary metabolites of <jats:italic>Ziziphus oenopolia</jats:italic> (L.) fruit extract that contribute to its anti-diabetic activity. The anti-diabetic properties were assessed by <jats:italic>in vitro</jats:italic> and <jats:italic>in silico</jats:italic> approaches using α-amylase and α-glucosidase inhibitory assays. Gas chromatography and mass spectroscopy analyses were used to profile <jats:italic>Z. oenopolia</jats:italic> fruit contents, and a total of four bioactive chemicals and eight phytocompounds were tentatively identified, including flavonoids, terpenoids, phenols, steroids, tannins, and saponins. The <jats:italic>Z. oenopolia</jats:italic> fruit hydroalcoholic extract inhibits α-amylase and α-glucosidase enzymes in a dose-dependent manner (IC<jats:sub>50</jats:sub> = 328.76 and 337.28 µg/mL, <jats:italic>R</jats:italic> <jats:sup>2</jats:sup> = 0.979 and 0.981). Additionally, phytochemicals found in <jats:italic>Z. oenopolia</jats:italic> fruit exhibit the ability to inhibit anti-diabetic targets, specifically α-amylase and α-glucosidase (2QV4 vs 3A4A; correlation coefficient, <jats:italic>r</jats:italic> = 0.955), as demonstrated by computational analysis. This establishes the fruit as a promising and environmentally friendly option for treating hyperglycemia, highlighting the positive correlation between anti-diabetic objectives.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"49 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141064159","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":"Acute toxicity and anti-inflammatory activity of bis-thiourea derivatives","authors":"Muhammad Naveed Umar, Muhammad Shoaib, Mehreen Ghias, Shakila Bibi, Muhammad Zahoor, Sher Wali Khan, Riaz Ullah, Essam A. Ali, Naila Gulfam, Syed Wadood Ali Shah","doi":"10.1515/chem-2024-0033","DOIUrl":"https://doi.org/10.1515/chem-2024-0033","url":null,"abstract":"In the current work, bis-thiourea derivatives have been synthesized through condensation reaction between isothiocynates and diamines in dry acetone to form SK1 (1,2-bis(<jats:italic>N</jats:italic>-benzoylthioureido) benzene), SK2 (1,3-bis(<jats:italic>N</jats:italic>-benzoylthioureido) benzene), and SK3 (1,4-bis(<jats:italic>N</jats:italic>-benzoylthioureido) benzene). The structures of new synthesized derivatives were confirmed through melting point and spectroscopic technique such as <jats:sup>1</jats:sup>HNMR only. The synthesized compounds were assessed for acute toxicity test and are proved free of toxicity. The derivatives were further tested as anti-inflammatory agents by <jats:italic>in vitro</jats:italic> lipoxygenase enzyme inhibition studies, molecular docking, and <jats:italic>in vivo</jats:italic> carrageenan-induced paw edema assay, and histamine-induced edema test. The overall observations presented that compounds SK1 and SK3 possess promising anti-inflammatory potential, while compound SK2 is found to be a good anti-inflammatory agent.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"52 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141061871","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":"Antifungal, antioxidant, and photocatalytic activities of greenly synthesized iron oxide nanoparticles","authors":"Khalid Maniah","doi":"10.1515/chem-2024-0031","DOIUrl":"https://doi.org/10.1515/chem-2024-0031","url":null,"abstract":"The build-up of synthetic dyes in the environment and aquatic ecology is a significant environmental issue due to their inability to break down naturally. The overuse of chemical fungicides also poses a threat to the environment due to their accumulation and fostering of fungal resistance. Hence, the study was conducted to detect the antifungal properties and photocatalytic activity of greenly synthesized iron oxide nanoparticles (IONPs) prepared using the <jats:italic>Hibiscus sabdariffa</jats:italic> flower extract. The biogenic IONPs showed the highest photocatalytic activity against rhodamine B dye at a concentration of 4.0 mg/ml. The biogenic IONPs also demonstrated effective antifungal properties against <jats:italic>Penicillium digitatum</jats:italic> and <jats:italic>Aspergillus niger</jats:italic> strains, with relative inhibition percentages of mycelial growth being higher than those with the metalaxyl + mancozeb fungicide at 800 ppm concentration. The efficient photocatalytic activity of the biogenic IONPs against rhodamine B dye and their effective antifungal properties suggest their potential use as safe substitutes for commercial fungicides.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"25 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141061800","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":"Comparative toxicity assessment of fisetin-aided artificial intelligence-assisted drug design targeting epibulbar dermoid through phytochemicals","authors":"Muhammad Naveed, Amina Abid, Tariq Aziz, Ayesha Saleem, Nimra Hanif, Imran Ali, Abdullah F. Alasmari","doi":"10.1515/chem-2023-0197","DOIUrl":"https://doi.org/10.1515/chem-2023-0197","url":null,"abstract":"Epibulbar dermoid, benign tumors resulting from the improper function of the pathogenic protein Patched 1 (PTCH1), surgical interventions are employed to mitigate the lethal effects. However, these procedures often lead to complications such as scleral weakening and corneal astigmatism. Due to the absence of effective medical treatments, there is a critical need for novel approaches to prevent the spread of this disease. This study not only fills a key gap in medical therapy for epibulbar dermoid, but it also demonstrates AI’s transformational potential in drug development. Employing an AI drug design service, three efficient de novo therapeutic compounds targeting the PTCH1 protein were crafted with Fisetin. The method included obtaining the PTCH1 protein sequence from NCBI, computing physiochemical parameters with Expasy Protparam, and estimating the 3D structure with SWISS-MODEL. Quality assessment, binding site prediction, drug design with WADDAICA, Lipinski’s Rule of 5, toxicity screening, ADMET evaluation, docking analysis with CB-dock and Patch dock, and MD simulations with IMOD all work together to provide an adequate basis for the development and validation of AI-designed phytochemical medicines for epibulbar dermoid. Comprehensive pharmacokinetic and toxicity assessments demonstrated the outstanding absorbency of AI-designed Fisetin in the blood–brain barrier, emphasizing its non-toxic nature. The AI-designed Fisetin exhibits a notable affinity of approximately −9.2 kcal/mol during docking with the PTCH1 protein, suggesting its potential as a drug. While the in silico results indicate efficiency and safety, the necessity for <jats:italic>in vivo</jats:italic> testing is acknowledged to validate these promising findings. This research significantly advances the frontier of knowledge by proposing a non-invasive solution to epibulbar dermoid, addressing current limitations, and offering potential alternatives to conventional surgical interventions.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"43 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140929540","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":"Sprouted wheat flour for improving physical, chemical, rheological, microbial load, and quality properties of fino bread","authors":"Waleed Z. Badawy, Sati Y. Al-Dalain, Manal Abdelaziz, Alaa A. Elgabaly, Osama M. Morsy, Rokayya Sami, Garsa Alshehry, Huda Aljumayi, Eman Algarni, Suzan A. Abushal, Awatif M. Almehmadi, Ruqaiah I. Bedaiwi, Roqayah H. Kadi, Fadi Baakdah, Amani H. Aljahani, Mohamed K. Morsy","doi":"10.1515/chem-2024-0030","DOIUrl":"https://doi.org/10.1515/chem-2024-0030","url":null,"abstract":"The aim of this work was to improve the quality parameters, functional properties, and sensory attributes of the fino bread using sprouted whole wheat flour (SWWF) at different levels, i.e., 3, 6, and 9%. Results demonstrated that SWWF has two-fold phenolic compounds and antioxidant ability compared to unsprouted wheat. The SWWF was found to be high in protein, minerals, and fat while low in carbohydrates compared to the control sample. Additionally, the microbial loads of SWWF were within processing-acceptable limits. Dough stability and rheological attributes of wheat with SWWF were evaluated to predict the texture of the final bread. There was a positive correlation between stability time and mixed dough and texture parameters of wheat bread with SWWF. The bread made using SWWF was high in protein content. The panelists accepted the bread up to 9% SWWF addition from a sensory perspective. The findings demonstrated that SWWF might be suggested for utilization as an enhancer, particularly up to 9% addition in the bread-making industry.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"33 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140929499","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":"Photocatalytic treatment of organic dyes using metal oxides and nanocomposites: A quantitative study","authors":"Yousaf Khan, Muhammad Naeem Khan, Abdul Salam, Haleema Sadia, Muhammad Farhat Ullah, Muhammad Ijaz Khan, Barno Sayfutdinovna Abdullaeva, Fuad A. Awwad, Emad A. A. Ismail","doi":"10.1515/chem-2024-0026","DOIUrl":"https://doi.org/10.1515/chem-2024-0026","url":null,"abstract":"This comprehensive and quantitative research offers a thorough analysis of how metal oxides and nanocomposites are used in the photocatalytic treatment of organic dyes. It explores the challenges and opportunities of employing photocatalytic conversion technologies, discussing the optimal conditions for efficient degradation. The mechanisms of photocatalytic degradation are elucidated, highlighting the steps involved in transforming organic dyes into harmless by-products. Additionally, the article examines the factors that enhance the overall efficiency of photocatalytic conversion and compares its cost-effectiveness to other treatment methods. Various photocatalysts, with a focus on metal oxides and nanocomposites, are analyzed in terms of their advantages and limitations in degrading organic dyes. This article serves as a valuable resource for researchers and practitioners seeking sustainable and economical wastewater treatment solutions through efficient and eco-friendly photocatalytic approaches.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"76 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140929620","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":"Ultrasound induced biosynthesis of silver nanoparticles embedded into chitosan polymers: Investigation of its anti-cutaneous squamous cell carcinoma effects","authors":"Huiwen Zheng, Yin Li, Wei Li, Sha Zhou, Chunlan Huang, Lizhong Du","doi":"10.1515/chem-2024-0018","DOIUrl":"https://doi.org/10.1515/chem-2024-0018","url":null,"abstract":"Here we have shown the novel biosynthesis of silver nanoparticles (Ag NPs) encapsulated by chitosan polymers in the presence of <jats:italic>Achillea millefolium</jats:italic> aqueous extract (Ag NPs@CHI). The Ag ions were first embedded over the chitosan surface enriched with polar organofunctions like amines (NH<jats:sub>2</jats:sub>) and hydroxyls, and subsequently the ions were reduced green-metrically by the electron rich phytochemicals of the plant extract. After the synthesis numerous techniques, including the UV-vis spectrum, transmission electron microscopy, FE-SEM, EDS-elemental mapping, and ICP-AES, were used to study the physicochemical characteristics of the nanocomposite biomaterial. Next, we explored the material biologically in the anti-cutaneous squamous cell carcinoma effects against the corresponding cell lines like PM1, MET1, MET 4, SCC T9, SCC IC1MET, SCC IC19, SCC T8, and SCC T11. The related IC<jats:sub>50</jats:sub> values of the nanocomposite against them were 182, 158, 177, 178, 177, 99, 62, and 183 µg/mL, respectively. The cytotoxicity in terms of percentage cell viability of cancer cells were decreased with the increase in the nanocomposite doses.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"70 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140887931","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":"Hepatoprotective effects of safranal on acetaminophen-induced hepatotoxicity in rats","authors":"Naci Ömer Alayunt, Akif Evren Parlak, Semra Türkoğlu, Fatih Taş","doi":"10.1515/chem-2024-0029","DOIUrl":"https://doi.org/10.1515/chem-2024-0029","url":null,"abstract":"This research aimed to explore the protective and therapeutic properties of safranal in mitigating inflammation and oxidative stress induced by elevated acetaminophen (APAP) doses in a rat model. The protective and therapeutic effects of safranal were determined by histopathologically and examining some biochemical parameters such as aspartate transaminase (AST), alanine transaminase (ALT), glutathione, glutathione peroxidase, catalase, malondialdehyde, interleukin-6, tumor necrosis factor-α, and interleukin-1β. Male Wistar–Albino rats were subject to random allocation, forming five groups, each comprising seven rats (<jats:italic>n</jats:italic> = 7) in the study. Group 1 was the control group. APAP was administered in Group 2 to induce hepatotoxicity. Rats in Groups 3, 4, and 5 received intraperitoneal injections of safranal at doses of 0.025, 0.05, and 0.1 mL/kg/day for 14 days, respectively. On the 15th day, to induce APAP-induced hepatotoxicity, four groups (Groups 2, 3, 4, and 5) acquired a single intraperitoneal injection of 600 mg/kg APAP. The presence of APAP-induced hepatotoxic effect was proven by elevated AST and ALT levels, which are typical biomarkers of liver function in addition to the demonstration of histopathological changes. The findings suggest that pre-treatment with safranal may offer a protective effect against hepatotoxicity by attenuating oxidative stress and the inflammatory response.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"1 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140882501","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":"Copper oxide nanoparticles-mediated Heliotropium bacciferum leaf extract: Antifungal activity and molecular docking assays against strawberry pathogens","authors":"Esraa Hamdy, Hamada El-Gendi, Abdulaziz Al-Askar, Ali El-Far, Przemysław Kowalczewski, Said Behiry, Ahmed Abdelkhalek","doi":"10.1515/chem-2024-0028","DOIUrl":"https://doi.org/10.1515/chem-2024-0028","url":null,"abstract":"In the current study, <jats:italic>Heliotropium bacciferum</jats:italic> leaf extract was used to biosynthesize copper oxide nanoparticles (CuO-NPs). Various analytical techniques were used to characterize the produced CuO-NPs. Transmission electron microscope investigation indicated well-distributed spherical particles in various development phases. The particles’ diameters ranged from 22.15 to 37.01 nm, with an average of 24.8 ± 6.1 nm. Energy dispersive X-ray examination confirmed the presence of nanoscale Cu ions at a high concentration, as seen by the strong signal peak at 1 keV. Fourier transform infrared spectrum revealed various functional groups on the green-produced CuO-NPs, as evidenced by multiple absorption beaks. The bands found at 3,195 and 2,916 cm<jats:sup>−1</jats:sup> revealed that phenolic and flavonoid compounds’ alcohols and alkanes were stretching C–H. Also, a band at 1,034 cm<jats:sup>−1</jats:sup> is typically attributed to CuO production. CuO-NPs exhibited significant bioactivity against isolated and molecularly identified fungal strains, including <jats:italic>Rhizoctonia solani</jats:italic> (OR116528), <jats:italic>Fusarium oxysporum</jats:italic> (OR116508), and <jats:italic>Botrytis cinerea</jats:italic> (OR116491). Remarkably, the highest inhibition percentages were recorded at 100 µg/mL, with values 81.48, 71.11, and 50.74% for <jats:italic>R. solani</jats:italic>, <jats:italic>F. oxysporum</jats:italic>, and <jats:italic>B. cinerea</jats:italic>, respectively. Molecular docking interactions revealed that the highest binding affinity of CuO-NPs was −5.1 for the oxidoreductase of <jats:italic>B. cinerea</jats:italic> and −5.2 and −5.4 for the chitin synthase of <jats:italic>R. solani</jats:italic> and <jats:italic>F. oxysporum</jats:italic>, respectively. Consequentially, the biosynthesized CuO-NPs could be employed as antifungal biocontrol agents, as well as using <jats:italic>H. bacciferum</jats:italic> leaf extract for the synthesis of nanoparticles for various sustainable agricultural applications.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"42 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140889858","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}