Chemistry & Biodiversity最新文献

{"title":"Chemical Composition and Anti-sickling Activity of the Essential Oil From the Leaves of Lantana Montevidensis (Spreng.) Briq (Verbenaceae) Growing Wild in the Western Region of Democratic Republic of Congo.","authors":"Babady-Bila Philippe, Tshilanda-Dinangayi Dorothée, Tshibangu Sha-Tshibey Damien, Masengi Makondo David, Kiasama N'kal Giresse, Kabengele Nkongolo Carlos, Ngbolua Koto Te Nyiwa Jean-Paul, Mpiana Tshimankinda Pius","doi":"10.1002/cbdv.202403030","DOIUrl":"https://doi.org/10.1002/cbdv.202403030","url":null,"abstract":"<p><p>Lantana montevidensis (Spreng.) Briq. is a shrub native to South American countries. In Congolese traditional medicine, its leaves are used as herbal tea or in steam inhalation therapy for the treatment of respiratory disorders. The goal of this study was to determine the chemical composition and the anti-sickling activity of the essential oil obtained from the leaves of this species growing wild in the Democratic Republic of Congo. Previous studies on the chemical composition of this species essential oil showed that it is mainly rich in sesquiterpene hydrocarbons such as (E)-caryophyllene, germacrene-D, (Z)-caryophyllene, valencene, bicyclogermacrene, (E)-nerolidol, β-selinene, sabinene, γ-terpinene, and β-elemene in different ratios. The gas chromatography-mass spectrometry analysis of our oil revealed that it is rather rich in monoterpenes, with geranial (24.13%), neral (17.73%), limonene (8.27%), γ-terpinene (2.81%), p-cymene (2.36%), geraniol (2.33%), nerol (1.52%), citronellol (1.37%), linalool (1.24), and carvone (1.20%) as major constituents. Germacrene D (4.21%), α-elemol (3.53%), and β-caryophyllene (1.08%) were the only main sesquiterpenes detected, besides 6-methyl-5-hepten-2-one (3.51%). The Emmel test performed on this essential oil displayed a strong anti-sickling activity at the concentration of 625 µg/mL.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403030"},"PeriodicalIF":2.3,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143032390","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":"Acetohydroxyacid Synthase (AHAS) Inhibitors as Antitubercular Agents: Insights From Molecular Docking and Dynamics Simulations.","authors":"Kunal Gokhale, Nachiket Joshi, RajaSekhar Reddy Alavala","doi":"10.1002/cbdv.202402631","DOIUrl":"10.1002/cbdv.202402631","url":null,"abstract":"<p><p>Acetohydroxyacid synthase (AHAS) is a vital enzyme in Mycobacterium tuberculosis, the pathogen causing tuberculosis (TB), involved in branched-chain amino acid synthesis. Targeting AHAS for drug design against TB offers a promising strategy due to its essentiality in bacterial growth. In current investigation, we have designed 160 novel compounds by leveraging key scaffolds identified through structure-based drug design (SBDD) methodologies. Subsequently, these compounds underwent molecular docking analysis to elucidate their potential interactions with the AHAS protein. The Top 4 compounds (with docking score above -8.2 kcal/mol) resulting from the docking studies were subjected to rigorous molecular dynamics simulations, spanning a runtime of 100 ns, to assess their stability across various parameters including root mean square deviation (RMSD), root mean square fluctuation (RMSF), secondary structure elements (SSEs), radius of gyration (rGyr), solvent accessible surface area (SASA), and MM-GBSA free energy values. Remarkably, compounds KG 98 and KG 131 exhibited superior stability profiles across all analyzed parameters. From the detailed interactions analysis, it was found that the nitrogen containing heterocyclic rings (1,3,5-triazine/imidazole) are essential to have the potential binding interactions with the AHAS enzyme. Some of the interactions were persisted for more than 75% of the simulated time, which shows the strength of the interactions. The findings suggest these lead molecules as promising candidates for AHAS inhibition, a potential avenue for TB treatment and management.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402631"},"PeriodicalIF":2.3,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143037338","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":"Aromatic Polyketides From a Marine-Derived Streptomyces Species.","authors":"Jingjing Shen, Shan Cheng, Zhi Liu, Weiming Zhu, Peng Fu","doi":"10.1002/cbdv.202500129","DOIUrl":"10.1002/cbdv.202500129","url":null,"abstract":"<p><p>Three new naphthalene derivatives, strepthalenes A-C (1-3), and the known analogue (S)-DNPA (4), together with six previously reported anthraquinones (5-10), were isolated from the marine-derived Streptomyces sp. OUCMDZ-4182. Their structures were elucidated by detailed spectroscopic analysis and quantum chemical calculations. Strepthalenes B and C showed moderate activity against amyloid-β 42 (Aβ42) aggregation with IC₅₀ values of 47.65 and 24.73 µM, respectively.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202500129"},"PeriodicalIF":2.3,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143037340","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":"Design, Synthesis, and In Silico Molecular Docking Studies of Adamantanyl Hydrazinylthiazoles as Potential Antidiabetic Agents.","authors":"Sabah Siddique Choudhry, Hasnain Mehmood, Tashfeen Akhtar, Muhammad Haroon, Mustapha Musa, Zaroon Sajid","doi":"10.1002/cbdv.202402409","DOIUrl":"10.1002/cbdv.202402409","url":null,"abstract":"<p><p>Diabetes mellitus (DM) is a widespread disease that poses a major threat to millions of people. To address this issue, we have synthesized seventeen new 4-(adamantan-1-yl)-(2-(arylidene)hydrazinyl)thiazoles (3a-q) via Hantzsch synthetic approach. The molecular structures of all the compounds were confirmed using FT-IR, ¹H- and ¹³C-NMR spectroscopy, and HR-mass spectrometry. Protein kinase, α-amylase, glycation, and oxidation inhibition potential of all compounds were also investigated, and it was found that compounds 3b, 3c, 3e-3g, and 3i-3q have shown excellent α-amylase inhibition (IC₅₀ = 7.91 ± 0.07 to 28.57 ± 0.1 µM), compounds 3c, 3e, 3i, 3k, and 3p (IC₅₀ = 30.6 ± 0.06 to 37.8 ± 0.005 ppm) were found to be highly potent anti-glycating agents, and compounds 3c, 3g, 3h, 3k, and 3m were found to be more potent protein kinase inhibitors as compared to standards. The compounds 3b, 3c, 3d, 3e, 3f, 3g, 3i, 3k, 3l, 3m, 3n, 3p, and 3q have shown good antioxidant potential (IC₅₀ = 27.5 ± 0.09 to 48.8 ± 0.09 µM) as compared to standard ascorbic acid (IC₅₀ = 51.3 ± 0.1 µM). The biocompatibility of all samples was also tested by employing brine shrimp lethality and in vitro hemolytic assays and was found to be safe to human erythrocytes at tested concentrations. Furthermore, the molecular docking simulation study also revealed that almost all synthesized compounds have potential interactions with target proteins at the molecular level.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402409"},"PeriodicalIF":2.3,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143037342","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":"Comprehensive Analysis of Conventional and Bioactive Compositions of the Exocarp of Five Mainly-Planted Ginkgo biloba Varieties.","authors":"Fang Zhang, Huimin Wang, Rong Wu, Manman Shi, Qihui Dong, Erzheng Su","doi":"10.1002/cbdv.202402632","DOIUrl":"10.1002/cbdv.202402632","url":null,"abstract":"<p><p>Ginkgo biloba exocarp, a by-product of seed production, is produced in an amount of over 75,000 tons annually in China. However, due to the lack of suitable processing methods, it is predominantly discarded as agricultural waste, resulting in a substantial waste of resources. To seek new development directions, this study first comprehensively evaluated the conventional and bioactive compositions of the exocarps of the five mainly planted G. biloba varieties. The results indicated that G. biloba exocarps contained some preponderant bioactive compositions, including ginkgolic acids (54.10-85.42 mg/g), proanthocyanidins (26.62-52.96 mg/g), and polysaccharides (29.72-51.72 mg/g). G. biloba exocarps were also abundant in terpene trilactones (332.63-780.31 µg/g), flavonoids (70.88-109.26 µg/g), and 6-hydroxykynurenic acid (43.19-302.99 µg/g). The conventional components of G. biloba exocarps were mainly ash, crude fiber, and fat. The contents of starch and protein were lower; thus, G. biloba exocarp exhibits a lower nutritional value. G. biloba exocarps have the potential to be the best resource for the preparation of ginkgolic acids (GAs), proanthocyanidins, and polysaccharides. This study provides a theoretical basis for the development and utilization of G. biloba exocarps.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402632"},"PeriodicalIF":2.3,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143032471","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 Undescribed Flavonoid and Rotenoid Derivatives From the Leaves of Derris trifoliata With Their Cytotoxic Activity.","authors":"Bui Thi Nha Trang, Bui Thi Mai Anh, Nguyen Thi Mai, Tran Thuy Nga, Dan Thi Thuy Hang, Bui Huu Tai, Phan Van Kiem","doi":"10.1002/cbdv.202500006","DOIUrl":"10.1002/cbdv.202500006","url":null,"abstract":"<p><p>Phytochemical study on the leaves of Derris trifoliata led to the isolation of five rotenoids (3-7) and 10 flavonoid derivatives (1, 2, 8-15). Three of them, (2S)-5,7-dihydroxy-6-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)chroman-4-one (1), keampferol 3-O-[6-O-(E)-feruloyl-β-d-glucopyranosyl]-(1 → 2)-O-[α-l-rhamnopyranosyl-(1 → 6)-β-d-glucopyranoside (2), and (+)-13-homo-13-oxa-6a,12a-dehydrorotenone (3) were verified by Scifinder as previously undescribed compounds. Their chemical structures were elucidated by using infrared (IR), electronic circular dichroism (ECD), HR-ESI-MS, 1D, and 2D NMR methods. Compounds 1-15 were tested for their cytotoxic activities against SK-LU-1 and HepG2 cell lines. Compounds 4, 8, 14, and 15 showed moderate cytotoxic activities against SK-LU-1 cells with IC₅₀ values ranging from 8.52 to 28.89 µM and against HepG2 cells with IC₅₀ values ranging from 7.11 to 34.85 µM.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202500006"},"PeriodicalIF":2.3,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143037344","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 Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors through Rational Design of Novel Fluorinated 1,3,4-oxadiazole Amide Derivatives: An In-Silico Study.","authors":"Huiying Jiang, Heping Xia, Zhonghua Wang, Fei Xiong","doi":"10.1002/cbdv.202403179","DOIUrl":"10.1002/cbdv.202403179","url":null,"abstract":"<p><p>As severe acute respiratory syndrome coronavirus 2 (SARS‑CoV‑2) variants continue to emerge, there is an urgent need to develop more effective antiviral drugs capable of combating the COVID-19 pandemic. The main protease (M^pro) of SARS-CoV-2 is an evolutionarily conserved drug discovery target. The present study mainly focused on chemoinformatics computational methods to investigate the efficacy of our newly designed trifluoromethyl-1,3,4-oxadiazole amide derivatives as SARS-CoV-2 M^pro inhibitors. Drug-likeness absorption, distribution, metabolism, excretion, and toxicity analysis, molecular docking simulation, density functional theory (DFT), and molecular dynamics simulation methods were included. A comprehensive drug-likeness analysis was performed on the 14 newly designed compounds (1a-1n), and this series of small molecule inhibitors showed potential anti-SARS-CoV-2 activity. In order to reveal the mechanism of drug interaction, these novel compounds were classified by structure, and molecular docking simulations were performed. The results showed good interactions and identified the key amino acid residue GLY-143. Further DFT analysis using B3LYP-D3BJ functional and 6-311 + + G (d, p) basis set was performed to optimize the optimal configuration of the M^pro inhibitors, and the infrared spectrum of the vibration frequency was analyzed to clearly understand the structure and stability of the drug. The electrostatic potential map was analyzed to predict the reactivity of functional groups and protein-substrate interactions. The frontier molecular orbital analysis and density of states map showed the reactivity level and stability of the drug itself, among which 1i had the smallest energy gap difference (Δ_Egap = 3.64 ev), showing good reactivity. The analysis of global reactivity descriptors such as electrophilic index (ω) and chemical potential (μ) also showed that our newly designed M^pro inhibitors had stronger interactions. Molecular dynamics simulation further revealed the stable binding of the M^pro inhibitors in a solvent environment. The binding free energy results calculated by Molecular Mechanics / Poisson Boltzmann Surface Area (MM/PBSA) all exceeded the Food and Drug Administration-approved standard reference drug (Nirmatrelvir), and the free energy landscape and principal component analysis also further described the energy sites formed during the binding process between the drug molecule and the ligand-protein and the changes in conformation. These new series of small molecule inhibitors studied in this work will provide the necessary theoretical basis for the synthesis and activity evaluation of novel SARS-CoV-2 M^pro inhibitors.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403179"},"PeriodicalIF":2.3,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143032473","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 Utility and Chemotaxonomic Significance of Volatiles for Inferring Phylogeny in Chaerophyllum (Apiaceae): Essential Oil Composition of Myrrhoides nodosa (L.) Cannon.","authors":"Jelena Stamenković, Goran Petrović","doi":"10.1002/cbdv.202403267","DOIUrl":"10.1002/cbdv.202403267","url":null,"abstract":"<p><p>Gas chromatography (GC) and GC/MS analysis of essential oil composition obtained from different parts of Myrrhoides nodosa (L.) Cannon has been carried out. Regarding the essential oil composition, 33 compounds have been identified in the oil isolated from the aerial parts of M. nodosa and 42 from roots (accounting for 98.2% and 96.9% of all, respectively), with germacrene d (60.7%) being the major component in aerial parts. On the other hand, the essential oils obtained from roots of M. nodosa consisted mainly of non-terpenoid compounds with methyl eugenol (30.4%) as dominant compound. The potential use of chemical composition of essential oils as chemotaxonomic markers in determining chemotaxonomic relationships of the genus Myrrhoides, which is a monotypic genus with only one species: M. nodosa (L.) Cannon, and with those of related genus Chaerophyllum, has been discussed in detail. The obtained results fully justify the latest systematization in which the species Myrrhoides becomes member of Chaerophyllum genus again.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403267"},"PeriodicalIF":2.3,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143037345","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 Cannabinoids and Terpenes Diversity in Cannabis sativa L. From Northern India for Future Breeding Strategies.","authors":"Dipayan Ghosh, Anitika Kundu, Neha Chaudhary, Darshan Gupta, Mridula Dwivedi, Ram Swaroop Verma, Karuna Shanker, Birendra Kumar, Narendra Kumar","doi":"10.1002/cbdv.202402278","DOIUrl":"10.1002/cbdv.202402278","url":null,"abstract":"<p><p>Cannabis sativa L. is an important medicinal plant with high commercial value. In recent years, the research interest in cannabidiol (CBD) and terpene-rich cannabis has been rapidly expanding due to their high therapeutic potential. The present study aims to explore the phytocannabinoids and terpenes diversity in C. sativa collected from different parts of northern India. Our findings revealed that the cannabinoids and terpenes synthesize together in capitate stalked and capitate sessile glandular trichomes, whereas bulbous glands synthesize only terpenes. The North Indian C. sativa is mainly dominated by tetrahydrocannabinol. The CBD-rich plant diversity is nominal (1.11%) in studied north Indian C. sativa. The essential oil profiling reveals (E)-caryophyllene (10.30%-36.80%) as the major constituent, followed by α-humulene (0.50%-15.29%) and α-bisabolol (0.00%-16.40%) in the North Indian population. The cannabinoids and terpenes content showed significant diversity among and within the five studied populations. The correlation analysis between cannabinoids and terpenes indicates that α-pinene, β-pinene and limonene positively correlated with CBD content. Similarly, α- and β-selinene correlate positively with tetrahydrocannabinolic acid content. This study could help to identify the key cultivars from India and establish a consistent chemotype for future breeding programs.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402278"},"PeriodicalIF":2.3,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143032411","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":"Synthesis, Characterization, Anti-Nematicidal, and Computational Study of Copper(II) Complex Derived From Fluoro-substituted Schiff Base Ligand.","authors":"Salisu Y Lawan, Naomi P Ndahi, Ibrahim B Galadima, Olaide O Wahab, Tunde L Yusuf, Louis-Charl C Coetzee, Mostafa S Abd El-Maksoud, Ibrahim Waziri","doi":"10.1002/cbdv.202403033","DOIUrl":"10.1002/cbdv.202403033","url":null,"abstract":"<p><p>In this study, a novel fluoro-substituted Schiff base ligand (HL) was synthesized through a condensation reaction between 2-bromo-4-(trifluoromethoxy)aniline and 2-hydroxybenzaldehyde in methanol solvent at room temperature. The ligand was subsequently reacted with copper(II) acetate to produce the corresponding Cu(II) complex (CuL₂). Both the ligand and its complex underwent characterization using various techniques including nuclear magnetic resonance, ultraviolet-visible, Fourier-transform infrared, thermogravimetric analysis, elemental analysis, and mass spectroscopy. In addition, the solid-state structure of the complex was determined through single crystal X-ray diffraction analysis, confirming the successful isolation of the compounds. Subsequently, the nematicidal activities of the ligand and its complex were assessed through in vitro egg hatching inhibition and mortality rate assays, in comparison to the control, carbofuran (Crf), at concentrations of 50 and 100 µM over a 24-72-h period. The results indicated the ligand's superiority over the complex in both assays at lower concentrations. At a concentration of 50 µM, the ligand HL demonstrated 100% egg-hatching inhibition at 24, 48, and 72 h, whereas the complex CuL₂ showed egg-hatching inhibition rates of 93.86 ± 0.22%, 98.76 ± 0.14%, and 99.33 ± 0.52% at the same time intervals. The control, Crf, exhibited inhibition rates of 56.33 ± 0.33%, 69.94 ± 0.6%, and 67.00 ± 0.34% over the same time period. Similarly, at a concentration of 100 µM, both the ligand and complex demonstrated 100% egg-hatching inhibition at 24, 48, and 72 h, while the control showed egg-hatching rates of 88.16 ± 0.84%, 89.9 ± 0.55%, and 90.8 ± 0.50%. Regarding the mortality rate, at 50 and 100 µM, the ligand HL exhibited a 100% mortality rate within 24 to 72 h, whereas the complex CuL₂ displayed mortality rates of 56.66 ± 0.33%, 63.3 ± 0.23%, and 86.66 ± 0.13% at 24, 48, and 72 h, respectively, with a mortality rate of 100% at 100 µM within the same time intervals. The control, Crf, demonstrated mortality rates of 54%-67% at 50 µM and 62%-78% at 100 µM within 24-72 h. Additionally, the density-functional theory study revealed the electronic properties of the compounds, reinforcing the experimental findings.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403033"},"PeriodicalIF":2.3,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143032407","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}