Chemistry & Biodiversity最新文献

{"title":"In Silico Study, Synthesis, and In Vitro Evaluation of Acetylcholinesterase and Butyrylcholinesterase Inhibitory Activity of Novel N-Thiazole Substituted Acetamide Coumarin Derivatives.","authors":"Pooja Patowary, Anshul Shakya, Surajit Kumar Ghosh, Lipoksangla Jamir, Bhargab Jyoti Sahariah, Neelutpal Gogoi, Udaya Pratap Singh, Hans Raj Bhat","doi":"10.1002/cbdv.202401524","DOIUrl":"https://doi.org/10.1002/cbdv.202401524","url":null,"abstract":"<p><p>In this study, a structurally directed pharmacophore hybridization technique is used to combine the two essential structural scaffolds coumarin and thiazoles in search of a new class of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitor for Alzheimer's disease (AD). A library of 120 compounds was designed in two series 5a(1-15), 5b(16-30), 5c(31-45), 5d(46-60), and 6a(61-75), 6b(76-90), 6c(91-105), 6d(106-120) using various substituted phenol, β-ketoesters, and thiazole derivatives. Eleven compounds were identified as potential hybrids using molecular property filter analysis and molecular docking studies, and they comprise N-substituted thiazole coumarin derivatives. The docking results indicated that compounds 5b16 and 5c35 exhibited strong binding interactions with GLY116, GLY117, TYR332, and HIS438 (ranging from -27.42 to -24.18 kcal/mol) and GLY119, ASP72, and PHE288 (ranging from -32.21 to -25.92 kcal/mol) when tested against AChE (1EVE) and BuChE (1P0I) inhibitors. These compounds were synthesized via conventional methods and characterized by different spectroscopic methods. In vitro anti-cholinesterase activity results indicated that two compounds, for example, 5b16 and 5c35 showed potent to moderate activity against AChE and BuChE with IC₅₀ (2.00 ± 0.09-29.63 ± 0.48) µM and (34.93 ± 0.62-17.92 ± 0.42) µM, respectively. Our study demonstrated the development of a novel class of hybrid coumarin thiazole derivatives as AChE and BuChE inhibitors, and these compounds could be utilized against ADs.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202401524"},"PeriodicalIF":2.3,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143188392","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discovery of Novel FtsZ Inhibitors With Antimicrobial Activity by Virtual Screening and In Vitro Biological Evaluation.","authors":"Aoqi Luo, Chenliang Qian, Zhenyu Zhang, Jie Xia, Hongwei Jin, Xinxin Si, Shaojie Ma","doi":"10.1002/cbdv.202403042","DOIUrl":"10.1002/cbdv.202403042","url":null,"abstract":"<p><p>The filamentous temperature-sensitive protein Z (FtsZ) plays a vital role in bacterial division, making it an important antibacterial target. The inhibitor activity targeting the cleft between the H7 helix and the C-terminal substructural domain exhibited superior binding compared to the GTP binding site. This highlights the potential of the cleft as a promising target for further inhibitor discovery. In this study, we established a virtual screening (VS) pipeline using Discovery Studio software and employed FRED for molecular docking and Functional-Class Fingerprints_6 (FCFP_6) for molecular clustering, resulting in the identification of 38 potentially active compounds. These 38 compounds were then subjected to the following FtsZ inhibition assays, resulting in the four active compounds B6, B21, B26, and B31. Further experiments showed that compounds B6 and B26 exhibited antimicrobial activity with minimum inhibitory concentration (MIC) values of 8 and 32 µg/mL. Finally, molecular dynamics (MD) was used to analyze the binding modes of the protein-ligand. In addition, we predicted the physicochemical properties and toxicity of B6 and B26. In summary, our study successfully identified novel FtsZ inhibitors with antimicrobial activity through VS and in vitro biological evaluation, demonstrating their potential for further investigation.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403042"},"PeriodicalIF":2.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143078696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Citrus Flavonoids as Antimicrobials.","authors":"Rosaria Ciriminna, Giovanna Li Petri, Giuseppe Angellotti, Rafael Luque, Anne-Sylvie Fabiano-Tixier, Francesco Meneguzzo, Mario Pagliaro","doi":"10.1002/cbdv.202403210","DOIUrl":"https://doi.org/10.1002/cbdv.202403210","url":null,"abstract":"<p><p>Citrus flavonoids are highly bioactive compounds exerting numerous health benefits including anticancer, antioxidant, antimicrobial, anti-inflammatory, mitoprotective and neuroprotective activity. Research on their broad-scope bioactivity experienced a renaissance in the early 2000s and further accelerated after COVID-19, including research on their antimicrobial properties. Summarizing selected research achievements on the antimicrobial activity of the main Citrus flavonoids, this study aims to provide a unified picture on the antimicrobial properties of these valued compounds that will hopefully assist in the development of flavonoid-based antimicrobials, including antibacterial treatments suitable for clinical use minimizing antimicrobial resistance.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403210"},"PeriodicalIF":2.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143078737","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Small-Diameter Stents in Cardiovascular Applications.","authors":"Bhavana Raj, Prajitha Pg, Harika Sapa, Shona Sara Shaji, Sreejith T, Althaf Umar Kp, Kaladhar K, Praveen Varma","doi":"10.1002/cbdv.202402008","DOIUrl":"10.1002/cbdv.202402008","url":null,"abstract":"<p><p>Small-diameter stents play a crucial role in treating congenital heart diseases and variety of vascular conditions that have application from paediatrics to geriatric conditions, and a comprehensive review in this direction is lacking. This review explores historical development, design innovations, material compositions and mechanistic insights into functions of small-diameter stents, with a specific emphasis on biodegradable options. The necessity for stents that can adapt to growth of paediatric patients is discussed, highlighting the transition from durable polymers to bioresorbable materials such as polylactic acid (PLA) and magnesium alloys. While acknowledging the advancements made in reducing complications like restenosis and thrombosis, the review addresses the challenges that persist, including the need for improved biocompatibility and minimization of late adverse cardiac events associated with certain stent technologies. A detailed examination of various stent generations emphasizes the importance of drug release kinetics, structural integrity and potential for personalized interventions based on patient-specific factors. The exploration of novel therapeutic compounds, including nanoparticles and interfering RNA, illustrates the ongoing research aimed at enhancing stent efficacy. Ultimately, the review seeks to provide a comprehensive understanding of current landscape while identifying the gaps that future research must address to develop the ideal stent for diverse patient populations.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402008"},"PeriodicalIF":2.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143122336","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Multifaceted Chemistry of Chili Peppers: A Biodiversity Treasure for Nutrition and Biomedicine.","authors":"Ayman Faris Faisal, Yasser Fakri Mustafa","doi":"10.1002/cbdv.202402690","DOIUrl":"10.1002/cbdv.202402690","url":null,"abstract":"<p><p>Due to its biodiversity, traditional medicine has been recognized worldwide for centuries and continues to affect the development of complementary and alternative therapies. A wide variety of spices, herbs, and trees are known for their curative effects. Chili pepper (Ch-p), a spice-utilizing fruit, is rich in natural medicinally bioactive compounds, such as flavonoids, capsaicinoids, and many other phytochemicals and phytonutrients. Operating in synergy and consortium, these compounds demonstrate their functionality, in comparison to lonely treatment, as active agents in handling many disorders. These may include abnormal coagulation, oxidative stress, obesity, diabetes, inflammation, cancer, and microbe-inducing diseases. Recently, capsaicinoids, particularly capsaicin, have been shown to manage the symptoms of significant viral diseases, including COVID-19. Capsaicin also has the potential to be an effective anesthetic agent and enables Ch-p to be expandedly employed as a topical preparation in relieving pain as well. The phytochemicals of Ch-p are not only beneficial and inexpensive phyto-alternatives in disease management, but they can also be used as scaffolds for the production of novel medicines. The study also substantiates the role of the TRPV1 receptor in the mitigation of chronic diseases in conjunction with capsaicin. Nevertheless, the consumption of Ch-p is the subject of limited medicinal research, necessitating the confirmation of the results from animal studies. The nutritional and biomedical prospection of Ch-p-derived products has been addressed in an accessible format in this artifact, with the potential to precisely enhance and enrich our pharmaceutical industries in the pursuit of human well-being.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402690"},"PeriodicalIF":2.3,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143078709","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural Characteristics of Ziziphus jujuba dates Polysaccharide and Its Protective Effect Against Colitis.","authors":"Qiaoying Song, Xinyong You, Xuexia Liu","doi":"10.1002/cbdv.202402568","DOIUrl":"10.1002/cbdv.202402568","url":null,"abstract":"<p><p>The aim of this study was to comprehensively analyze the structural characteristics of Ziziphus jujuba dates polysaccharide (ZJP-I) and its potential activity against colitis in vivo. A series of advanced analytical techniques, including ion exchange chromatography, gel column chromatography, infrared (IR) spectroscopy, nuclear magnetic resonance (NMR), and scanning electron microscopy (SEM), were used to characterize the structure of ZJP-I. The results showed that the molecular weight of ZJP-I was 2.01 × 10⁴ Da, and it was mainly composed of sugar residues T-d-Galp(1→, →4)-d-Glcp(1→, →3,6)-d-Glcp(1→ and →6)-d-Galp(1→ and →6)-d-Manp(1→. To appraise the potential efficacy of ZJP-I on colitis, in vivo experiments were executed by employing a murine colitis model elicited by dextran sulfate sodium (DSS). The experimental results showed that ZJP-I could significantly improve the clinical symptoms of colitis mice, including weight loss and colon shortening. Further analysis showed that ZJP-I effectively inhibited intestinal inflammation and protected intestinal barrier function by regulating inflammatory cytokine homeostasis, alleviating oxidative stress, and restoring secretion of short-chain fatty acids. In summary, this study not only deeply analyzed the structural characteristics of ZJP but also revealed its significant effect on colitis in vivo for the first time. These findings provided an important theoretical basis and experimental support for the potential application of ZJPs in functional food and medicine.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402568"},"PeriodicalIF":2.3,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143074048","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anti-Inflammatory Effects of Astragaloside IV-Chitosan Nanoparticles and Associated Anti-Inflammatory Mechanisms Based on Liquid Chromatography-Mass Spectrometry Metabolomic Analysis of RAW264.7 Cells.","authors":"Tingli Qu, Shasha Suo, Liqiu Yan, Liwei Wang, Taigang Liang","doi":"10.1002/cbdv.202402234","DOIUrl":"10.1002/cbdv.202402234","url":null,"abstract":"<p><p>Astragaloside IV (ATS) is an active component of Astragalus membranaceus, which has immune regulation and anti-inflammatory effects. However, owing to its large molecular weight and poor solubility in water, the therapeutic effects of ATS are limited. We aimed to prepare ATS-chitosan (ATS-CS) nanoparticles and determine their anti-inflammatory effect and mechanism of action on RAW264.7 cells using metabolomics. The size of the ATS-CS nanoparticles was 200.3 nm with a zeta potential of 30.5 mV, and the encapsulation rate and drug loading were 69% and 13%, respectively. ATS-CS nanoparticles not only significantly decreased the increase of nitric oxide, interleukin-6, and tumor necrosis factor-α levels induced by lipopolysaccharide, but also exerted an anti-inflammatory effect by acting on arginine and proline, glutathione, sphingolipid, glycerophospholipid, glycine, serine, and threonine metabolism. Our findings confirmed that ATS-CS nanoparticles had good anti-inflammatory activity and showed that the activity of high molecular weight could be increased by producing nanoparticles. Our study paves the way for exploring the mechanism of nanoparticles through metabolomics.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402234"},"PeriodicalIF":2.3,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143074042","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unveiling the Potential Biological and Chemical Mechanism of Pergularia tomentosa Extracts by Liquid Chromatography-Electrospray Ionisation-High-Resolution Tandem Mass Spectrometry, In-Vitro and In-Vivo Pharmacological Studies.","authors":"Tatou Touahria, Wafa Zahnit, Gilda D'Urso, Latifa Khattabi, Gianluigi Lauro, Maria Giovanna Chini, Giuseppe Bifulco, Agostino Casapullo, Khalid Mashay Al-Anazi, Mohammad Abul Farah, Ahmad Ali","doi":"10.1002/cbdv.202403006","DOIUrl":"10.1002/cbdv.202403006","url":null,"abstract":"<p><p>By means of this investigation, we were able to ascertain some hitherto undiscovered biological activities of Pergularia tomentosa. In this study, the chemical composition of P. tomentosa extracts (aqueous PtAE and hydroalcoholic PtHE) was investigated by liquid chromatography-electrospray ionisation-high-resolution tandem mass spectrometry (LC-ESI-HR-MS/MS) analysis. The extracts were evaluated for various biological features in vitro, including antioxidant, anti-inflammatory, urease inhibitory, and sun protection factor (SPF) capabilities. To assess the antioxidant activity of PtAE and PtHE, which was expressed as 50% inhibition and absorbance at 0.5 values, 1,1-diphenyl-2-picrylhydrazyl (DPPH^•) and 2,2'-azino-bis(3 ethylbenzothiazoline-6-sulfonic acid) (ABTS^•+) scavenging, ferric reducing power, and silver nanoparticle-based assays were performed. The in vitro anti-inflammatory impact was investigated to assess the inhibitory effect of PtAE and PtHE on albumin denaturation. Also, we established, for the first time, P. tomentosa's urease inhibitory capacity and SPF. In order to assess the in vivo biological features of PtAE and PtHE, experiments were conducted to evaluate their acute toxicity, anti-inflammatory effects and sedative properties, which are determined for the first time. The outcomes revealed that these extracts are prolific in flavonoids and cardenolides, among other secondary metabolites. Some of these compounds are identified for the first time in the P. tomentosa plant. The findings demonstrated that PtHE was potent against DPPH^● (244.43 ± 1.44 µg/mL), ABTS^●+ (18.30 ± 2.11 µg/mL), and PtAE was strongly active against ferric reducing power (4.56 ± 0.80 µg/mL) and SNP (44.81 ± 1.13 µg/mL). The anti-inflammatory potential of PtAE and PtHE is significant, and their inhibition percentages (61.57% for PtAE and 43.77% for PtHE) are comparable to the reference ibuprofen. All treated mice did not exhibit any signs of intoxication after receiving a single dose of 2000 mg/kg of PtAE and PtHE oral alternatively. PtAE and PtHE have potent anti-inflammatory with inhibition percentages of 77.25% and 43.00%, respectively. Emphasising the sedative effect of both P. tomentosa extracts, the oral administration of the extracts produced a decrease in movement of 49.77% for the PtAE and 60.00% for the PtHE. These highlights prove the ability of PtAE and PtHE to suppress the formation of paw oedema and lower spontaneous locomotor activity in treated mice. The data gathered suggest that P. tomentosa has potential use in the pharmaceutical industries as an alternative therapy for different physiological disorders and diseases and as a therapeutic agent.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403006"},"PeriodicalIF":2.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143070749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dual Relaxant Effect of Coumarin-3-carboxamides Through the Nitric Oxide/Cyclic Guanosine Monophosphate Pathway and Ca²⁺ Channels Blockade.","authors":"Arabelly Jiménez-Rodríguez, Cuauhtémoc Alvarado-Sánchez, Manuel Velasco, Estephania López-Oliva, Nancy Romero-Ceronio, Rolffy Ortiz-Andrade, Oswaldo Hernández-Abreu","doi":"10.1002/cbdv.202403028","DOIUrl":"10.1002/cbdv.202403028","url":null,"abstract":"<p><p>We aimed to determine the relaxant pathway of seventeen synthetic compounds derived from coumarin-3-carboxamide. An isolated rat aorta assay was used. To determine the vasorelaxant mode of action, receptor blockers and specific enzyme inhibitors involved in endothelial and smooth muscle signaling pathways were used. The compounds 2, 4, and 5 showed higher activity than the other compounds. N-nitro-L-arginine methyl ester (10 µM) and methylene blue (10 µM) significantly inhibited the relaxant effect of the compounds 2, 4, and 5 (p ≤ 0.05), but not tetraethylammonium (5 mM), indomethacin (10 µM), or atropine (1 µM). The compounds 2, 4, and 5 abated the contraction induced by CaCl₂. The compounds 2, 4, and 5 exert a relaxing effect through the nitric oxide/cyclic guanosine monophosphate pathway activation and by blocking Ca²⁺ channels of the cell membrane. These findings propose coumarin-3-carboxamides as new drug entities with the potential to develop non-clinical and clinical.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403028"},"PeriodicalIF":2.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143074045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Biological Activities of Ent-Polyalthic Acid.","authors":"Cassia S Mizuno, Raquel Alves Dos Santos, Natalia Nascimento Silveira","doi":"10.1002/cbdv.202402894","DOIUrl":"10.1002/cbdv.202402894","url":null,"abstract":"<p><p>Copaiba oleoresin is one of the most popular medicines in the Amazon. Ent-polyalthic acid (PA) is one of the diterpenes found in the oleoresin and has been shown to have several biological activities including antimicrobial, antifungal, antiparasitic, and many others. Therefore, it could be used as a lead compound in the development of new drugs. This review describes in vitro and in vivo biological activities, and the mechanisms of action of PA reported in the literature. Although there are several studies, the majority reported the results of in vitro studies. Effects in humans are nonexistent since PA has not been tested in any clinical trials.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402894"},"PeriodicalIF":2.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143070747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}