Chemistry & Biodiversity最新文献

New Curvularin and Norlignanolide Derivatives from Cocultures of Marine Mangrove Endophytic Fungus Penicillium brocae MA-231 and Phytopathogen Curvularia spicifera QA-26.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-25 DOI: 10.1002/cbdv.202500761

Aoyuan Zhang, Xiaoshan Shi, Bingui Wang, Linghong Meng

引用次数: 0

Design, Synthesis, in vivo antimalarial activity and in silico studies of sulfonamide-alkanamido thiazole-5-carboxylate derivatives.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-25 DOI: 10.1002/cbdv.202403504

James A Ezugwu, David I Ugwu, Mithun- Rudrapal, Gourav Rakshit, Rahul Ghosh, Kurma S Hariprasad, Emmanuel O Abonyi

{"title":"Design, Synthesis, in vivo antimalarial activity and in silico studies of sulfonamide-alkanamido thiazole-5-carboxylate derivatives.","authors":"James A Ezugwu, David I Ugwu, Mithun- Rudrapal, Gourav Rakshit, Rahul Ghosh, Kurma S Hariprasad, Emmanuel O Abonyi","doi":"10.1002/cbdv.202403504","DOIUrl":"https://doi.org/10.1002/cbdv.202403504","url":null,"abstract":"A series of nine substituted derivatives of 4-methyl-2-(3-methyl-2-(4-methylphenylsulfonamido)-butanamido)thiazole-5-carboxylate were synthesized, characterized, and evaluated for antimalarial activity. The synthesis involved a two-step process using methyl acetoacetate and various substituted benzenesulfonamoyl alkanamides. Structural confirmation was achieved using NMR and mass spectroscopy. The in vivo antimalarial efficacy was tested against Plasmodium berghei in Swiss albino mice, with artemisinin as the reference drug. Compounds 4e and 4h exhibited the highest inhibition rates of 81.68%, and 85.34% respectively, closely matching artemisinin (90%). Structure-activity relationship (SAR) analysis identified the sulfonamide group, alkyl chain length, and molecular flexibility as critical determinants of activity. Docking studies revealed strong binding affinities for 4e and 4h, supported by stable hydrogen bonds and hydrophobic interactions with the enzyme's active site, corroborated by molecular dynamics simulations. ADMET analysis revealed favorable pharmacokinetic and safety profiles, including high GI absorption, acceptable solubility, and low mutagenic risk. These findings highlight compounds 4e and 4h as promising leads for antimalarial drug development.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403504"},"PeriodicalIF":2.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143699776","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

Design, Synthesis, Antibacterial Activity and Mechanism of Action of Coumarin Derivatives Containing Benzylamine.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-25 DOI: 10.1002/cbdv.202402034

Song Bai, Miaohe Zhang, Miao Li, Shouyin Tang, Suran Wan, Fang Wang, Xian Wei, Lijun Chen, Shuang Feng, Rong Wu

引用次数: 0

Natural Products in Cyperus Species (Cyperaceae): Phytochemistry, Pharmacological Activities, and Biosynthesis.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-25 DOI: 10.1002/cbdv.202403352

Borakaeyabe Babiaka Smith, Doris E Ekayen, Conrad V Simoben, Cyril T Namba-Nzanguim, Chi Fru, Ndam L Monah, Lina N Nubed, Dieudonne L Njimoh, Vincent de Paul N Nziko, Rajeev Singla, Christopher A Ebot-Arrey, Emmanuel A Asongalem, Andrew E Egbe, Kennedy O Abuga, Rajshekhar Karpoormath, E Joel Loveridge

{"title":"Natural Products in Cyperus Species (Cyperaceae): Phytochemistry, Pharmacological Activities, and Biosynthesis.","authors":"Borakaeyabe Babiaka Smith, Doris E Ekayen, Conrad V Simoben, Cyril T Namba-Nzanguim, Chi Fru, Ndam L Monah, Lina N Nubed, Dieudonne L Njimoh, Vincent de Paul N Nziko, Rajeev Singla, Christopher A Ebot-Arrey, Emmanuel A Asongalem, Andrew E Egbe, Kennedy O Abuga, Rajshekhar Karpoormath, E Joel Loveridge","doi":"10.1002/cbdv.202403352","DOIUrl":"https://doi.org/10.1002/cbdv.202403352","url":null,"abstract":"The review provides an update on the traditional uses, geographical distribution, pharmacological activities, biosynthesis, and mechanisms of action of natural products derived from Cyperus species. Since 1964, a total of about 403 natural products have been isolated from 43 Cyperus species, including terpenoids (51.61%), flavonoids (17.37%), stilbenoids (6.45%), quinones (5.71%), aromatics (7.69%), coumarins (5.21%) and other compounds (5.96%). The isolated compounds displayed anticancer, antiviral, antidiabetic, antimicrobial, antidepressant, and other activities. Terpenoids and flavonoids are the most abundant class of NPs that have been isolated from Cyperus species. The biosynthesis of some terpenoids and flavonoids has been provided in the paper. Natural products isolated from Cyperus species have demonstrated interesting in vitro activities which warrant further scientific investigations.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403352"},"PeriodicalIF":2.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143708879","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

Neuraminidase Inhibitory Constituents from A rtemisia rupestris L.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-25 DOI: 10.1002/cbdv.202500543

Zhihong Cheng, Yanzhi Sun, Shaoli Xia, Man Xue, Yue Cao

引用次数: 0

Phytochemical Insights and Acetylcholinesterase-Targeted Nematicidal Activity of Digitalis purpurea L. Extracts in Biological Control of Meloidogyne incognita.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-25 DOI: 10.1002/cbdv.202403274

Himani Karakoti, Ravendra Kumar, Om Prakasha, Satya Kumar, D S Rawat, Mozaniel de Oliveira

{"title":"Phytochemical Insights and Acetylcholinesterase-Targeted Nematicidal Activity of Digitalis purpurea L. Extracts in Biological Control of Meloidogyne incognita.","authors":"Himani Karakoti, Ravendra Kumar, Om Prakasha, Satya Kumar, D S Rawat, Mozaniel de Oliveira","doi":"10.1002/cbdv.202403274","DOIUrl":"https://doi.org/10.1002/cbdv.202403274","url":null,"abstract":"Digitalis purpurea L. is traditionally valued for its cardiac glycosides, but its pesticidal properties remain underexplored. This study evaluated its nematicidal efficacy against Meloidogyne incognita, focusing on acetylcholinesterase (AChE) inhibition as a potential mechanism. Extracts obtained using Soxhlet extraction with hexane (DPHE), dichloromethane (DPDE), and methanol (DPME) were analyzed via GC-MS. DPHE contained fatty acids, including hexadecenoic acid (20.38%) and linoleic acid (14.43%). DPDE was rich in bioactives like gitogenin (8.89%) and digitoxigenin (6.8%). DPME featured β-D-glucopyranose, 1,6-anhydro (15.55%) and smilagenin (5.49%). Nematicidal assays showed DPDE achieved 100% mortality at 1000 µg/mL and 91.23% egg hatching inhibition. It also demonstrated 87.88% AChE inhibition, surpassing physostigmine (81.75%). Molecular docking revealed strong interactions between DPDE compounds and AChE. These findings suggest D. purpurea, particularly its dichloromethane extract, as a promising eco-friendly nematicidal agent.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403274"},"PeriodicalIF":2.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143699780","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

Design, Synthesis and Insecticidal Activity of Novel m-diamide Compounds Containing Sulfur.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-25 DOI: 10.1002/cbdv.202500230

Pengmian Huang, Hualan Yang, Minghui Wu, Liqi Zhou, Zihan Huang, Jiyong Liu

{"title":"Design, Synthesis and Insecticidal Activity of Novel m-diamide Compounds Containing Sulfur.","authors":"Pengmian Huang, Hualan Yang, Minghui Wu, Liqi Zhou, Zihan Huang, Jiyong Liu","doi":"10.1002/cbdv.202500230","DOIUrl":"https://doi.org/10.1002/cbdv.202500230","url":null,"abstract":"To find efficient insecticides with novel structures, 16 novel m-diamides compounds containing sulfur were designed and synthesized based on the principle of biologically active factor splicing with cyproflanilide as the lead compound. Preliminary biological assay data showed that some of the target compounds exhibited insecticidal activity above 90% against Mythimna separata at 0.01 mg/L and Aphis craccivora at 100 mg/L, which were better than cyproflanilide. Meanwhile, most compounds still maintain 100% mortality at 1 mg/L for Plutella xylostella. In particular, compounds 5c, 5e, 5f, and 5g revealed excellent activities against Plutella xylostella, Mythimna separata and Aphis craccivora, exhibiting efficient and broad-spectrum insecticidal activity. Additionally, the interaction between the metabolites of cyproflanilide, compound 5g and GABA receptor protein was studied by molecular docking method. The results showed that they could be stably bound to the potential active cavity in the protein to form a protein-ligand complex, thus showing excellent insecticidal activity, which is consistent with the data of excellent insecticidal activity of compounds. This work showed that sulfur-containing compounds might provide certain clues for structure optimization for the development of new insecticides.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202500230"},"PeriodicalIF":2.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143708875","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

Chromatographic Analysis, Antioxidant, Antimicrobial, Cytotoxic, and Antalgic Activities of Hydromethanolic Extract and Essential Oil from Inula viscosa L. Roots.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-25 DOI: 10.1002/cbdv.202402804

Soumia Merah, Abdelhamid Neggad, Hafidha Metidji, Ahmed Nouasri, Amina Missoum, Lynda Ainouz, Dahmane Dahmane, Tahar Dob, Soumeya Krimat

{"title":"Chromatographic Analysis, Antioxidant, Antimicrobial, Cytotoxic, and Antalgic Activities of Hydromethanolic Extract and Essential Oil from Inula viscosa L. Roots.","authors":"Soumia Merah, Abdelhamid Neggad, Hafidha Metidji, Ahmed Nouasri, Amina Missoum, Lynda Ainouz, Dahmane Dahmane, Tahar Dob, Soumeya Krimat","doi":"10.1002/cbdv.202402804","DOIUrl":"https://doi.org/10.1002/cbdv.202402804","url":null,"abstract":"This study investigates the chemical composition and biological properties of the hydromethanolic extract (HME) and essential oil (EO) derived from Inula viscosa L. roots. HPLC-DAD analysis revealed the presence of hesperin (29.05 %), naringenin (10.55 %), kaempferide (1.08 %), and tangeritin (0.36 %) in the HME. GC-FID and GC-MS analysis of the EO indicated that the predominant compounds were β-acorenol (11.36 %) and 1,2-benzenedicarboxylic acid, bis (2-methylpropyl) ester (9.83%). The HME contained a significant amount of polyphenols (34.58 mg GAE.g-1 extract). All extracts exhibited high antioxidant activity, outperforming standard antioxidants such as BHT, vitamins E, and C. Furthermore, the extracts demonstrated moderate antimicrobial and high cytotoxic activities against selected microbial strains and Artemia salina, respectively as well as potent antalgic effects comparable to paracetamol (88.35 %). The findings highlight the value of Inula viscosa roots as a natural resource for a variety of industries, including pharmaceuticals, cosmetics, and agriculture. Its antioxidant and antimicrobial properties make it an appealing candidate for use as a natural preservative.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402804"},"PeriodicalIF":2.3,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143708873","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

Chemical Composition and Antifungal Effect of the Essential Oils of Thymus vulgaris L., Origanum vulgare L., and Satureja montana L. against Clinical Isolates of Candida spp.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-24 DOI: 10.1002/cbdv.202500270

Marina Dimitrijević, Zorica Stojanović-Radić, Niko Radulović, Milica Nešić

{"title":"Chemical Composition and Antifungal Effect of the Essential Oils of Thymus vulgaris L., Origanum vulgare L., and Satureja montana L. against Clinical Isolates of Candida spp.","authors":"Marina Dimitrijević, Zorica Stojanović-Radić, Niko Radulović, Milica Nešić","doi":"10.1002/cbdv.202500270","DOIUrl":"https://doi.org/10.1002/cbdv.202500270","url":null,"abstract":"Infections caused by Candida species are on the rise, and the escalating concern revolves around the growing resistance to known antifungals, particularly in immunocompromised individuals. The essential oils (EOs) of thyme, oregano, and savory were studied for antifungal, antibiofilm and potential synergistic activity against isolates of Candida. The oils underwent chemical characterization, revealing comparable compositions of the monoterpene phenols, predominantly thymol and carvacrol, albeit in varying proportions. Anti-Candida activity assessments of these EOs and the type of interactions among these agents on planktonic cells were done by microdilution and the checkerboard method, respectively. Our findings underscore the significant inhibitory effects of the tested agents against both planktonic and biofilm forms of Candida cells. The minimum inhibitory concentration (MIC) values of the tested oils against planktonic Candida cells ranged from 0.312 to 2.500 mg/mL, classifying them as highly to moderately active against the causative agents of candidosis. The effect on the formation of Candida biofilms was statistically significant for the majority of the tested candidal isolates, with a reduction percentage greater than 50%. Notably, the high significance of our study lies in the presented synergistic effects observed in the majority of the examined combinations, without any presence of antagonistic interactions.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202500270"},"PeriodicalIF":2.3,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143691122","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

Design, Synthesis, and Biological Evaluation of New Ureido (Thioureido) Anthranilic Acid Isosteres: Molecular Docking, In Silico ADMET Predictions, and In Vivo Anti-Inflammatory Activity.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-03-24 DOI: 10.1002/cbdv.202500374

Kamel Harrouche, Nassima Boutaoui, Katia Mohand Saidi, Stiti Mohamed Zakaria, Asma Khelafi, Smail Khelili

{"title":"Design, Synthesis, and Biological Evaluation of New Ureido (Thioureido) Anthranilic Acid Isosteres: Molecular Docking, In Silico ADMET Predictions, and In Vivo Anti-Inflammatory Activity.","authors":"Kamel Harrouche, Nassima Boutaoui, Katia Mohand Saidi, Stiti Mohamed Zakaria, Asma Khelafi, Smail Khelili","doi":"10.1002/cbdv.202500374","DOIUrl":"https://doi.org/10.1002/cbdv.202500374","url":null,"abstract":"A novel series of anthranilic acid isosteres were designed and synthesized as anti-inflammatory agents. The in-silico ADMET study predicted a favorable pharmacokinetic profile and respect for Lipinski's Rule of Five. DFT calculations revealed an improvement in some target compounds' electronic parameters compared to diclofenac (DCF) and aspirin (ASA), predicting an improvement in their biological activity. Docking investigations demonstrated a strong affinity toward the COX-1 and COX-2 enzymes, with a relative preference for COX-2, predicting anti-inflammatory activity. The MolDock Scores were between -140.59 and -91.81 kcal/mol for COX-1 and between -148.10 and -108.9 kcal/mol for COX-2. The experimental pharmacological investigation confirmed these theoretical findings. Indeed, target compounds demonstrated significant inhibition of the carrageenan-induced paw edema in rats and probable inhibition of cyclooxygenase. Particularly, compounds 4e and 4h devoid of COOH group, which provoke serious gastrointestinal irritation, exhibited anti-inflammatory activity comparable to that of salicylic acid (ASA) and surpassed the effectiveness of DCF. 4e and 4h showed 91.72% inhibition after 3h, against 91.03 and 83.44% for ASA and DCF, respectively, with a greater onset effect, and also surpassing the reference compounds after 1 and 2 hours. The results also indicate good pharmacokinetic profile of the target compounds similar to ASA and DCF.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202500374"},"PeriodicalIF":2.3,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143699774","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