Chemistry & Biodiversity最新文献_第8页

Assessment of the Properties and Mechanism of Three Lotus (Nelumbo nucifera Gaertn.) Parts for Sleep Improvement.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-31 DOI: 10.1002/cbdv.202402788

Shiyi He, Chenxi Wang, Wenqing Shi, Chunyan Zhou, Chenxi Liu, Ying Xu, Xinhui Jiang, Yaxing Gui, Guorong Fan

{"title":"Assessment of the Properties and Mechanism of Three Lotus (Nelumbo nucifera Gaertn.) Parts for Sleep Improvement.","authors":"Shiyi He, Chenxi Wang, Wenqing Shi, Chunyan Zhou, Chenxi Liu, Ying Xu, Xinhui Jiang, Yaxing Gui, Guorong Fan","doi":"10.1002/cbdv.202402788","DOIUrl":"https://doi.org/10.1002/cbdv.202402788","url":null,"abstract":"Lotus leaves (LL), petals (LP), and seeds (LS) are believed to have properties that can improve sleep. However, their efficacy in improving sleep has not been fully validated. This study aimed to investigate the multitarget mechanisms of extracts from these lotus parts for sleep improvement using chemical analysis, bioactivity assessment, meta-analysis, network pharmacology evaluation, and molecular docking. The chemical components in LL, LP, and LS were detected using ultra-high-performance liquid chromatography-ultraviolet-quadrupole time-of-flight tandem mass spectrometry, their total flavonoid and phenolic contents were determined, and their 2,2-diphenyl-1-picrylhydrazyl scavenging activity was estimated. Subsequently, relevant literature was collected for meta-analysis. Finally, potential targets were predicted using network pharmacology, and the results were validated by molecular docking. 48 compounds were identified from the lotus extracts. LL had the highest total flavonoid content, while LS had the highest total phenolic content. Extracts from both parts exerted significant antioxidant effects. A meta-analysis identified the potential of lotus to improve sleep. Armepavine, asimilobine, nuciferin, and luteolin were identified as key components, and AKT1, EGFR, DRD2, and PIK3R1 were revealed as key targets. PI3K-Akt was identified as a key signaling pathway. This study provides an important reference for studying the role of the lotus in improving sleep quality.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402788"},"PeriodicalIF":2.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143064293","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}

引用次数: 0

Investigation of Substance Basis and Pharmacodynamics of Qingzao Jiufei Decoction in Lung Cancer Based On Serum Pharmacochemistry and Proteomics.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-31 DOI: 10.1002/cbdv.202402774

Xiaoli Wen, Biting Cheng, Min Tan, Xiang Zhang, Ziheng Yao, Rumei Huang, Ge Zhang, Ling Liu, Fangyan Cai, Hongning Liu

{"title":"Investigation of Substance Basis and Pharmacodynamics of Qingzao Jiufei Decoction in Lung Cancer Based On Serum Pharmacochemistry and Proteomics.","authors":"Xiaoli Wen, Biting Cheng, Min Tan, Xiang Zhang, Ziheng Yao, Rumei Huang, Ge Zhang, Ling Liu, Fangyan Cai, Hongning Liu","doi":"10.1002/cbdv.202402774","DOIUrl":"10.1002/cbdv.202402774","url":null,"abstract":"Qingzao Jiufei Decoction (QD) is a renowned prescription for nourishing lung Yin to treat lung-related diseases in ancient and modern times. It has been reported that QD can effectively inhibit the growth of lung cancer (LC), but the material basis and mechanism of its treatment of LC remain to be further studied. In this experiment, we combined serum pharmacochemistry and proteomics to study the pharmacodynamic material basis and mechanism of QD against LC. The results showed that in vitro a total of 121 compounds were identified. A total of 33 prototype chemical components were identified in vivo, which may be effective active ingredients for QD treatment of LC. Proteomic experiments have shown that compared with the model group, 113 DEPs in LC tissues were significantly changed after QD treatment, among which 57 proteins were significantly up-regulated and 56 proteins were significantly down-regulated (p < 0.05). Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis was performed on these DEPs. A total of 205 pathways were enriched, and the PI3K-Akt signaling pathway was experimentally verified. The results showed that QD can be used to treat LC by inhibiting the activation of the PI3K/Akt/mTOR signaling pathway.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402774"},"PeriodicalIF":2.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143063835","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}

引用次数: 0

Development of Novel Piperine-Loaded Mesoporous Silica Nanoparticles: Enhanced Drug Delivery and Comprehensive In Vivo Safety Analysis.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-31 DOI: 10.1002/cbdv.202401901

Rahul Francis, Sudharsan Parthasarathy, Shaza H Aly, Ramanathan Kalyanaraman, Vasuki Boominathan, Siva Vijayakumar Tharumasivam, Mohamed El-Shazly, Brindha Matharasi Murugan, Murugesan Gnanadesigan

{"title":"Development of Novel Piperine-Loaded Mesoporous Silica Nanoparticles: Enhanced Drug Delivery and Comprehensive In Vivo Safety Analysis.","authors":"Rahul Francis, Sudharsan Parthasarathy, Shaza H Aly, Ramanathan Kalyanaraman, Vasuki Boominathan, Siva Vijayakumar Tharumasivam, Mohamed El-Shazly, Brindha Matharasi Murugan, Murugesan Gnanadesigan","doi":"10.1002/cbdv.202401901","DOIUrl":"10.1002/cbdv.202401901","url":null,"abstract":"Piperine-loaded mesoporous silica nanoparticles (MSNPs) were synthesized by chemical methods from tetraethylorthosilicate (TEOS) as a precursor, N-cetyl trimethyl ammonium bromide (CTAB) as a surfactant, piperine, distilled water, and sodium hydroxide (NaOH) as a catalyst at 80°C. After stirring the mixture for 20-30 min, the synthesized combined substances were washed with ethanol and the surfactant was removed using hydrochloric acid (HCl). The morphological characterization was assessed by high-resolution-transmission electron microscope (HR-TEM), scanning electron microscopy (field emission [FE]-scanning electron microscopy [SEM]), FE-SEM-energy-dispersive x-ray (EDX), infrared Fourier transform infrared spectroscopic (FTIR), x-ray diffractometer (XRD), dynamic light scattering (DLS), and ultraviolet-visible (UV-VIS). HR-TEM final report showed the amorphous nature of the prepared nanoparticles (NPs). TEM image at 100 nm showed typical ball-like geometry with an average particle size of 13.05 nm. FE-SEM analysis proved that MSNPs loaded with piperine have a spherical shape with various nm ranges starting from 232 to 552 nm. The results of the piperine release test observed 93.70% of the drug (piperine) over 24 h. The in vivo toxicity analysis of piperine-loaded MSNPs tested using adult zebrafish showed no toxic effect. Our developed piperine-loaded MSNPs are favorable for achieving sustained release, a lower dose frequency, and better therapeutic effects.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202401901"},"PeriodicalIF":2.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143070745","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}

引用次数: 0

Detection of Fast Decliner of Diabetic Kidney Disease Using Chiral Amino Acid Profiling: A Pilot Study.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-30 DOI: 10.1002/cbdv.202403332

Yosuke Hirakawa, Tomonori Kimura, Shinsuke Sakai, Masayuki Mizui, Masashi Mita, Yoshitaka Isaka, Masaomi Nangaku, Reiko Inagi

{"title":"Detection of Fast Decliner of Diabetic Kidney Disease Using Chiral Amino Acid Profiling: A Pilot Study.","authors":"Yosuke Hirakawa, Tomonori Kimura, Shinsuke Sakai, Masayuki Mizui, Masashi Mita, Yoshitaka Isaka, Masaomi Nangaku, Reiko Inagi","doi":"10.1002/cbdv.202403332","DOIUrl":"10.1002/cbdv.202403332","url":null,"abstract":"Biomarkers for the prediction of diabetic kidney disease are still unsatisfactory. Although D-amino acids have been shown to reflect kidney conditions, their efficacy in treating diabetic kidney disease (DKD) has not been demonstrated. This study explored the potential role of D-amino acids as progression markers for DKD, an aspect not addressed previously. We performed comprehensive D-amino acid measurements and collected the longitudinal estimated glomerular filtration rate (eGFR) data of 135 patients. We defined fast decliners (FDs) as patients exhibiting >10% decline from baseline eGFR per year and compared the D-amino acid levels of FDs and non-FDs. Then, we verified that D-amino acids could predict FDs independent of creatinine levels. In patients with diabetic kidney disease, D-serine, D-alanine, and D-proline were only detected in the blood, while 15 D-amino acids were detected in the urine. Using supervised orthogonal partial least squares analysis, blood D-serine and urine D-amino acid levels were identified as features characterizing diabetic kidney disease. Baseline blood D-serine levels and ratios did not differ between the FD and non-FD groups; however, short-term changes in blood D-serine levels differed. This study emphasized the significance of D-serine as a prognostic marker for DKD, an aspect not identified in previous research.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403332"},"PeriodicalIF":2.3,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143063691","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}

引用次数: 0

Extraction and Purification, Synthesis, Structure-activity Relationships, Pharmacological Effects and Mechanisms of Phillyrin: A Review.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-30 DOI: 10.1002/cbdv.202402898

Qingqing Deng, Ning Wang, Zeyang Dong, Jiaxin Bai, Jiqing Bai, Xiaoping Wang

{"title":"Extraction and Purification, Synthesis, Structure-activity Relationships, Pharmacological Effects and Mechanisms of Phillyrin: A Review.","authors":"Qingqing Deng, Ning Wang, Zeyang Dong, Jiaxin Bai, Jiqing Bai, Xiaoping Wang","doi":"10.1002/cbdv.202402898","DOIUrl":"https://doi.org/10.1002/cbdv.202402898","url":null,"abstract":"Phillyrin (PHI) is one of the main active components in Forsythia suspensa (Thunb.) Vahl, belonging to the class of lignans, which has anti-inflammatory, antioxidant, anti-tumor, antiviral, antibacterial, weight loss and other pharmacological effects, involving a variety of potential signaling pathways, such as TLR, NF-κB, PI3K/AKT, NRF2, PPAPs signaling pathways. The review search systematically and comprehensively CNKI, Wanfang, PubMed, Web of Science and other databases, screened nearly 100 relevant literature in the past five years, and summarized and evaluated the information of PHI extraction and purification, pharmacological activity, potential mechanism and structure-activity relationship. And further discusses the pharmacological effects of PHI and potential molecular mechanisms. The results of the review confirm that PHI has the potential to be developed into a therapeutic anti-inflammatory, anti-tumor and other therapeutic agents, all of which provide a scientific basis and direct reference for the pharmacological research of PHI.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402898"},"PeriodicalIF":2.3,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143063621","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}

引用次数: 0

In Vitro Antiplasmodial Activity and Chemical Composition of Combretum aculeatum, a Medicinal Plant From Niger.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-30 DOI: 10.1002/cbdv.202401621

Souleymane Magagi Damé, Louis Leclercq, Catherine Vonthron-Sénécheau, Amadou Tidjani Ilagouma, Sergio Ortiz

{"title":"In Vitro Antiplasmodial Activity and Chemical Composition of Combretum aculeatum, a Medicinal Plant From Niger.","authors":"Souleymane Magagi Damé, Louis Leclercq, Catherine Vonthron-Sénécheau, Amadou Tidjani Ilagouma, Sergio Ortiz","doi":"10.1002/cbdv.202401621","DOIUrl":"10.1002/cbdv.202401621","url":null,"abstract":"Malaria remains a significant public health challenge in Niger, accounting for 5.6% of global malaria-related deaths. Local medicinal plants are frequently used as traditional treatments for malaria, although their efficacy and safety are often insufficiently investigated. This study aims to evaluate the antiplasmodial activity and chemical composition of eight medicinal plants from Niger. Plant extracts were tested in vitro for their ability to inhibit the uptake of [3H]-hypoxanthine in the Plasmodium falciparum NF54 chloroquine-sensitive strain. The most active extract was subjected to chemical analysis using HPLC-PDA-HRMS/MS dereplication, whereas major compounds were quantified via a validated LC-UV method. The ethyl acetate extract of Combretum aculeatum (2a) demonstrated important antiplasmodial activity, with an IC50 value of 3.1 µg/mL and a selectivity index of 24.5. C-glycosyl flavonoids were identified as the primary constituents, present at concentrations ranging from 5.7 to 9.8 mg of vitexin equivalent per g of extract. However, the low abundance of these compounds suggests that other constituents may contribute to the extract's antiplasmodial effects. Further investigations are required to explore possible synergies among the components of 2a and to assess its efficacy in vivo models.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202401621"},"PeriodicalIF":2.3,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143063832","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}

引用次数: 0

An Unusual Meroterpenoid and Two New Steroids from Fungus Penicillium fellutanum and Their Bioactivities.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-29 DOI: 10.1002/cbdv.202403443

Li-Bin Lin, Mei-Niu Wang, Jia-Yao Hu, Rui Han, Xing Yang, Wei Shi, Chen-Lu Qu, Yu-Fei Wang, Xiao-Ling Wang, Jian Xiao

{"title":"An Unusual Meroterpenoid and Two New Steroids from Fungus Penicillium fellutanum and Their Bioactivities.","authors":"Li-Bin Lin, Mei-Niu Wang, Jia-Yao Hu, Rui Han, Xing Yang, Wei Shi, Chen-Lu Qu, Yu-Fei Wang, Xiao-Ling Wang, Jian Xiao","doi":"10.1002/cbdv.202403443","DOIUrl":"https://doi.org/10.1002/cbdv.202403443","url":null,"abstract":"An unusual clathrate-type meroterpenoid isoatlantinone A (1), two new steroids acrocalysterols E (2) and F (3), together with fifteen known compounds (4-18) were separated from a plant-associated fungus Penicillium fellutanum. Their structures and absolute configurations were established based on spectroscopic data (NMR and HRESIMS), electronic circular dichroism (ECD) and modified Mosher's method. Notably, compound 1 represents an unusual highly oxygenated meroterpenoid derivative with a unique caged bioxatetracyclo-[6.3.2.01,6.01,12]-tridecane ring system. All compounds were assessed in vitro for antifungal and cytotoxic activities. Intriguingly, compound 16 exhibited potent antifungal activity against Fusarium culmorum with MIC value of 50 mM, similar to the positive control carbendazim. Furthermore, compound 3 displayed potent cytotoxic effects on HCC-1806, and IC50 value of 18.15 ± 1.05 μM, and compound 6 exhibited remarkable cytotoxic activities on RKO, with the IC50 value of 11.61 ± 0.19 μM. Thus, strain Penicillium fellutanum represents a novel resource of these bioactive compounds to be exploited.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403443"},"PeriodicalIF":2.3,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143058251","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}

引用次数: 0

Investigation of Pyrrole Analogues Inhibition on Main Protease by Spectroscopic Analysis, Molecular Docking, and Enzyme Activity.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-28 DOI: 10.1002/cbdv.202403242

Nuoya Wang, Leyao Chen, Wenjun Ye, Wenquan Yu, Xiaoyu Chang, Ruiyong Wang

引用次数: 0

Synthesis, Biological Activities, DFT Calculations, and Molecular Docking Studies of O-Methyl-Inositols.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-28 DOI: 10.1002/cbdv.202402346

Kadir Aksu, Melek Çol Ayvaz, Ömer Faruk Çelik, Goncagül Serdaroğlu, Elvan Üstün, Latif Kelebekli

{"title":"Synthesis, Biological Activities, DFT Calculations, and Molecular Docking Studies of O-Methyl-Inositols.","authors":"Kadir Aksu, Melek Çol Ayvaz, Ömer Faruk Çelik, Goncagül Serdaroğlu, Elvan Üstün, Latif Kelebekli","doi":"10.1002/cbdv.202402346","DOIUrl":"10.1002/cbdv.202402346","url":null,"abstract":"The concise synthesis of O-methyl-d-inositol derivative and conduritol derivatives was obtained starting from p-benzoquinone. Spectroscopic methods have been performed for the characterization of newly synthesized compounds. Cyclitols are useful molecules with anticancer, antibiotic, antinutrient, and antileukemic activities. Inositol class molecules, known as the most important cyclitol derivatives, were examined in this study for their 1,1-diphenyl-2-picrylhydrazyl (DPPH) and nitric oxide radical scavenging and butyrylcholinesterase (BChE) and glycosidase inhibition activities. It was observed that compound 5, in particular, showed efficacy that competed with the standards in terms of both antioxidant activity and enzyme inhibitor potential. Additionally, compound 5 shows effective antimicrobial activity. The water-soluble characteristics and lipophilic properties of the compounds were also considered and discussed. Moreover, the quantum chemical analyses were performed in light of the DFT/B3LYP/6-311G** level computations to elucidate/compare the studied inositols' possible reactivity directions. Additionally, the interactions of the molecules were analyzed against acetylcholinesterase (AChE), peroxiredoxin 5, and DNA gyrase by molecular docking methods. Cholinesterase inhibitors have an important status as the most important drug group used in the treatment of Alzheimer's disease today. Considering the effects of inhibition of the α-glucosidase enzyme by inhibitors, such molecules can also be used as therapeutic components in the treatment of diabetes.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402346"},"PeriodicalIF":2.3,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143058269","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}

引用次数: 0

A Comprehensive Evaluation of the Neuropharmacological Potential of Methanolic Leaf Extract of Acanthus ebracteatus (Vahl.) Using Experimental and In Silico Approaches.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-28 DOI: 10.1002/cbdv.202402250

Md Aktaruzzaman, Md Tarikul Islam, Md Asaduzzaman Rakib, Bratati Sikdar, Saira Rehman, Md Sojiur Rahman, Md Touhid Hasan, Ghadeer M Albadrani, Muath Q Al-Ghadi, Mohamed Kamel, Lina A F Kurdi, Mariam K Alamoudi, Mohamed M Abdel-Daim, Rifat Rayhan, Md Shahin Sarker, Nadeem Fazal, Md Obayed Raihan

{"title":"A Comprehensive Evaluation of the Neuropharmacological Potential of Methanolic Leaf Extract of Acanthus ebracteatus (Vahl.) Using Experimental and In Silico Approaches.","authors":"Md Aktaruzzaman, Md Tarikul Islam, Md Asaduzzaman Rakib, Bratati Sikdar, Saira Rehman, Md Sojiur Rahman, Md Touhid Hasan, Ghadeer M Albadrani, Muath Q Al-Ghadi, Mohamed Kamel, Lina A F Kurdi, Mariam K Alamoudi, Mohamed M Abdel-Daim, Rifat Rayhan, Md Shahin Sarker, Nadeem Fazal, Md Obayed Raihan","doi":"10.1002/cbdv.202402250","DOIUrl":"https://doi.org/10.1002/cbdv.202402250","url":null,"abstract":"This study was undertaken to assess the antioxidant and neuropharmacological potentials of the methanol leaf extract of Acanthus ebracteatus (MAEL) through experimental and in silico methods. The phytochemical screening (PS) and GC-MS (gas chromatography-mass spectrometry) identified 28 phytochemicals with different classes in nature in MAEL. The MAEL revealed better antioxidant activity through various in vitro antioxidant assays. Additionally, in the tail suspension test (TST) and forced swimming test (FST), a dose-dependent reduction in immobility time was observed indicating antidepressant activity. In the elevated plus maze test (EPM), MAEL led to increased time spent and more entries in the open arms. At the same time, the hole board test (HBT) demonstrated an increase in head dipping compared to the control, both indicating anxiolytic activity. Moreover, a dose-dependent reduction in locomotor activities was observed in both the open field test (OFT) and hole cross test (HCT). Molecular docking showed better binding affinities of two compounds, CID-518982 and CID-236641. ADME/T analysis revealed good drug likeliness with no toxicity. Finally, the simulation demonstrated better structural stability with no significant fluctuations of the compounds with the selected receptors. In this study, compounds CID-518982 and CID-236641 might serve as drug candidates for treating anxiety and depression.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402250"},"PeriodicalIF":2.3,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143058248","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}

引用次数: 0