Fahim Ullah, Jafar Saifullah, Sufian Rasheed, Saima Gul, Safina Sharif, Syed Shakil Abbas, M. I. Khan
{"title":"Sustainable Water Remediation Through Degradation of Organic Pollutants Using Green-Synthesized Cerium and Sulfur-Doped TiO2 Nanoparticles","authors":"Fahim Ullah, Jafar Saifullah, Sufian Rasheed, Saima Gul, Safina Sharif, Syed Shakil Abbas, M. I. Khan","doi":"10.1002/cbdv.71765","DOIUrl":"10.1002/cbdv.71765","url":null,"abstract":"<p>Eco-friendly photocatalysis offers a sustainable approach for degrading hazardous water pollutants. In this study, sulfur-doped (S─TiO<sub>2</sub>) and cerium-doped (Ce─TiO<sub>2</sub>) nanoparticles were synthesized via a green route using <i>Syzygium cumini</i> L. leaf extract. Comprehensive characterization via SEM, FTIR, UV–vis diffuse reflectance spectroscopy, photoluminescence (PL), Raman, and XPS confirmed successful dopant incorporation, introduced mid-gap defect states, narrowed the band gap (2.0–2.5 eV), and promoted efficient charge separation. Photocatalytic performance was optimized across varying parameters including catalyst loading, solution pH, and contact time. Under optimized conditions, S─TiO<sub>2</sub> nanoparticles achieved degradation efficiencies of 98.5% for Rhodamine B (RhB) within 90 min, 96.0% for omeprazole (OMZ) within 30 min, and 98.1% for chlorpyrifos (PCPS) within 40 min, slightly outperforming Ce─TiO<sub>2</sub> (97.3%, 95.55%, and 97.3%, respectively). Radical scavenger studies confirmed •OH and •O<sup>2−</sup> as the primary reactive species driving degradation. Reusability evaluations demonstrated exceptional structural and chemical stability over successive cycles with minimal activity loss. Benchmarked against literature standards, these green-synthesized nanostructures present robust potential for practical wastewater remediation applications.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 10","pages":""},"PeriodicalIF":2.9,"publicationDate":"2026-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13641695/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149104719","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Clinopodium nepeta Essential Oil and Its Major Constituents Pulegone and Menthone: Composition and Activity Against Verticillium dahliae, Phytophthora infestans, and Macrophomina phaseolina.","authors":"Mohamed Taibi, Amine Elbouzidi, Mounir Haddou, Abdessamad Beraich, Abdellah Baraich, Reda Bellaouchi, Mohamed Addi, Khalid Chaabane, Bassem Jaouadi, Nadia Zarai, Bouchra El Guerrouj, Abdeslam Asehraou","doi":"10.1002/cbdv.71781","DOIUrl":"https://doi.org/10.1002/cbdv.71781","url":null,"abstract":"<p><p>Fungal and oomycete phytopathogens account for 10%-20% of annual global crop losses, and the escalating resistance to synthetic fungicides has intensified demand for plant-derived alternatives. The essential oil (EO) of Clinopodium nepeta (L.) Kuntze, obtained by hydrodistillation from aerial parts harvested in northeastern Morocco, was profiled by gas chromatography-mass spectrometry (GC-MS) and evaluated for antifungal and anti-oomycete activity against Verticillium dahliae, Phytophthora infestans, and Macrophomina phaseolina using broth microdilution minimum inhibitory concentration (MIC) assays. The EO was dominated by two oxygenated monoterpene ketones, pulegone (42.16%) and menthone (41.43%), which were additionally evaluated as isolated compounds. The whole EO yielded MIC values of 31.25 µg/mL (P. infestans), 62.5 µg/mL (V. dahliae), and 125 µg/mL (M. phaseolina). Both isolated constituents outperformed the native matrix by 2- to 16-fold, revealing antagonistic interactions within the complex EO. Pulegone showed superior activity against V. dahliae and P. infestans, while menthone was more potent against M. phaseolina, a selectivity pattern consistent with the greater electrophilic reactivity of pulegone's α,β-unsaturated ketone (Michael acceptor) moiety. These findings identify pulegone and menthone as priority biopesticide candidates, pending formulation optimization, in planta validation, and toxicological assessment of pulegone under field-exposure conditions. Because the GC-MS analysis was performed on an achiral stationary phase, the enantiomeric composition of the oil was not determined; its constituents are therefore reported without stereodescriptors, and the compounds assayed as isolated agents were the commercial reference standards (R)-(+)-pulegone and (2S,5R)-(-)-menthone. The structure-activity relationship described here is consequently constitutional rather than configurational.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 10","pages":"e71781"},"PeriodicalIF":2.9,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13626859/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149104662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nacira Siad, Chahrazed Hamia, Amar Djeridane, Mohamed Benalia, Reguia Mahfoudi, Hicham Bouakkaz, Mustafa Abdullah Yilmaz, Oguz Cakir, Abbas Tarhan, Mohamed Yousfi
{"title":"UHPLC/MS-MS Profiling, Antioxidant and Antimicrobial Properties of Atriplex halimus L. and Marrubium deserti De Noé Extracts: In Vitro and In Silico.","authors":"Nacira Siad, Chahrazed Hamia, Amar Djeridane, Mohamed Benalia, Reguia Mahfoudi, Hicham Bouakkaz, Mustafa Abdullah Yilmaz, Oguz Cakir, Abbas Tarhan, Mohamed Yousfi","doi":"10.1002/cbdv.71807","DOIUrl":"10.1002/cbdv.71807","url":null,"abstract":"<p><p>This study aims to evaluate the chemical composition and both in vitro and in silico antioxidant and antimicrobial activities of Atriplex halimus L. and Marrubium deserti De Noé, collected from Algeria. UHPLC‑MS/MS analysis revealed that the major compounds in the tested extracts are protocatechuic aldehyde, caffeic acid, cynaroside, and cosmosiin. The data demonstrated that the dichloromethane fraction was richer in polyphenols and flavonoids than the aqueous fraction. The extracts exhibited greater antioxidant capacity against ABTS compared to DPPH and FRAP assays. Antimicrobial activity was assessed by determining MIC<sub>50%</sub>, MIC<sub>90%</sub>, and MBC using a technique that correlates the colorimetric method with absorbance and concentration. The results showed that the extracts strongly inhibited all tested microorganisms, with MIC<sub>50%</sub>, MIC<sub>90%</sub>, and MBC values ranging from 0.0029 to 4.485 mg/mL, 0.0054 to 8.693 mg/mL, and 0.006 to 9.659 mg/mL, respectively. Furthermore, the extracts demonstrated notable efficacy comparable to antibiotics, especially against Candida albicans and Pseudomonas aeruginosa. These in vitro findings were supported by computational analyses. These methods provide predictive evidence regarding the plausibility of the observed biological effects of the extracts. The results of this research suggest that these Algerian plants exhibit significant therapeutic potential and should be considered for nutritional and medicinal applications.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 10","pages":"e71807"},"PeriodicalIF":2.9,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13653120/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149147456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"From Tradition to Bioactivity: Chemical and Biological Evaluation of a Reformulated Algerian Ancestral Soap Enriched With Lavandula dentata L. Essential Oil.","authors":"Manel Dirahoui, Farah Haddouchi, Rachida Amokrane-Aidat, Meknassia Debbal, Rayane Bougueroua","doi":"10.1002/cbdv.71753","DOIUrl":"10.1002/cbdv.71753","url":null,"abstract":"<p><p>The growing demand for sustainable and bioactive personal care products has renewed interest in traditional formulations. Saboun Dzair, a traditional Algerian olive oil-based soap widely used in hammam practices, remains poorly investigated for its bioactive properties. Lavandula dentata L. essential oil (LDEO) was extracted by hydrodistillation from plants collected near Mostaganem, Algeria (yield: 0.10%). GC-MS/MS analysis identified linalool (22.28%), linalyl acetate (14.42%), camphor, borneol, and 1,8-cineole as major constituents. The extra virgin olive oil (EVOO) used for superfatting was dominated by oleic acid (60.97%). LDEO was incorporated at 5%, 8%, and 12% (w/w). DPPH antioxidant activity increased in a concentration-dependent manner, from 9.09% inhibition in unenriched soap to 26.67% for 12% LDEO + 5% EVOO, an approximately 2.9-fold enhancement. Antimicrobial assays against six microbial strains showed inhibition zones of 8-10 mm for unenriched soap and up to 24.96 mm for the optimized formulation (12% LDEO + 5% EVOO), with a MIC of 1.85 mg/mL against Staphylococcus aureus. These findings demonstrate that LDEO enrichment enhanced the antioxidant and antimicrobial properties of Saboun Dzair while supporting its potential as a sustainable, bioactive, and culturally relevant natural soap.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 10","pages":"e71753"},"PeriodicalIF":2.9,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13653130/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149147758","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sidali Zaidi, Naima Saidene, Radia Kadi, Nadjet Benaida-Debbache
{"title":"Green Extraction of Phenolic Compounds From Pistacia lentiscus Leaves Coupled With LC-MS Characterization and Structure-Based Enzyme Inhibition Analysis.","authors":"Sidali Zaidi, Naima Saidene, Radia Kadi, Nadjet Benaida-Debbache","doi":"10.1002/cbdv.71831","DOIUrl":"10.1002/cbdv.71831","url":null,"abstract":"<p><p>Acetylcholinesterase (AChE) and urease are critical enzymes involved in various pathological conditions associated with cellular and tissue damage. Natural products are increasingly explored as safer alternatives to synthetic inhibitors. This study evaluates the phytochemical composition and enzyme inhibitory potential of Pistacia lentiscus leaves using a green extraction approach. Bioactive compounds were extracted via lactic acid-assisted ultrasound, and the crude extract was characterized for total phenolics, flavonoids, LC-MS profile, and in vitro inhibition of acetylcholinesterase and urease. Molecular docking was performed to investigate ligand-enzyme interactions. The extract contained 142.13 ± 0.06 mg GAE/g DW of polyphenols and 16.17 ± 0.02 mg QE/g DW of flavonoids. LC-MS analysis identified phenolic acids, phenolic glycosides, coumarins, and multiple flavonoid subclasses, including flavonols, flavanols, flavanones, flavones, and flavonolignans. The extract exhibited significant inhibition of both enzymes. Docking studies revealed key interactions, such as hydrogen bonds, π-alkyl, and π-sigma, within the active sites, with hesperidin and verbascoside showing the strongest binding affinities (acetylcholinesterase: -10.1 and -10.2 kcal/mol; urease: -9.6 and -9.2 kcal/mol, respectively). These results demonstrate that ultrasound-assisted lactic acid extraction efficiently isolates phenolic compounds from P. lentiscus, and the identified metabolites may serve as promising templates for the development of potent enzyme inhibitors.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 10","pages":"e71831"},"PeriodicalIF":2.9,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13655636/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149164143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Systems Pharmacology and Multitarget Modulation of Letrozole-HFD-Induced Polycystic Ovarian Syndrome by Fruit Pulp of Prunus armeniaca.","authors":"Ratna Priya, Nitish Singh Jangwan, Swati Dobhal, Shradha Bisht, Mamta F Singh","doi":"10.1002/cbdv.71829","DOIUrl":"10.1002/cbdv.71829","url":null,"abstract":"<p><p>Polycystic ovary syndrome (PCOS) is a multifactorial endocrine-metabolic disorder characterized by hyperandrogenism, insulin resistance, oxidative stress, and chronic inflammation. The present study investigated the multitarget pharmacological effects of hydroalcoholic extract of fruit pulp of Prunus armeniaca (HAE of FPPA) in a letrozole-high-fat diet (HFD)-induced PCOS model using integrated network pharmacology, ADMET profiling, molecular docking, and experimental validation. Intersection analysis identified 105 common targets between major FPPA phytoconstituents and PCOS-associated proteins, with enrichment of PI3K/Akt, MAPK, HIF-1, endocrine resistance, and inflammatory signaling pathways. Docking analysis demonstrated strong interactions of rutin, chlorogenic acid, and catechin with selected network-prioritized PCOS-associated proteins involved in insulin signaling, inflammation, and steroidogenesis. In vivo, HAE of FPPA dose-dependently restored estrous cyclicity, normalized LH/FSH ratio and testosterone levels, improved insulin resistance, <math><mi>β</mi></math> -cell function, and dyslipidemia, and reduced lactate dehydrogenase activity and atherogenic index. FPPA further attenuated ovarian oxidative stress through suppression of lipid peroxidation and restoration of GSH, GPx, GR, and SOD levels, accompanied by marked recovery of ovarian histoarchitecture with reduced cystic follicles and reappearance of corpus luteum. Collectively, this study provides the first integrated experimental and systems pharmacology evidence supporting FPPA as a promising multitarget phytotherapeutic candidate for hyperandrogenic and metabolically driven PCOS.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 10","pages":"e71829"},"PeriodicalIF":2.9,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13659025/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149165274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mo-Zi-Li Adu, Wei Jiang, Min Li, Bo-Wei Xia, En Yuan, Yue-Zhi Tan, Wu-Xin Yang, Guo-Yue Zhong, Qin-Ge Ma, Rong-Rui Wei
{"title":"Anti-Inflammatory Effects of Vicatia thibetica De Boiss. in Rheumatoid Arthritis and Associated Multi-Pathway Modulation In Vivo.","authors":"Mo-Zi-Li Adu, Wei Jiang, Min Li, Bo-Wei Xia, En Yuan, Yue-Zhi Tan, Wu-Xin Yang, Guo-Yue Zhong, Qin-Ge Ma, Rong-Rui Wei","doi":"10.1002/cbdv.71805","DOIUrl":"10.1002/cbdv.71805","url":null,"abstract":"<p><p>Vicatia thibetica de Boiss. (VTDB) is not only used as an important Tibetan medicine but is also consumed as a common wild vegetable. Rheumatoid arthritis (RA) is a chronic autoimmune disorder characterized by persistent synovial inflammation and progressive destruction of cartilage and bone. VTDB is recorded in the Four Medical Classics for treating \"Huang-Shui,\" a condition resembling RA. To preliminarily investigate its potential therapeutic basis, VTDB and its polarity-based fractions were evaluated for their effects against RA. The chemical constituents of VTDB-TE were profiled using UHPLC-Q-Orbitrap MS/MS, and network pharmacology analysis predicted possible involvement of the PI3K/Akt and JAK2/STAT3 signaling pathways. Among the tested fractions, VTDB-nBuOH exhibited the most pronounced pharmacological activity in the collagen-induced arthritis (CIA) rat model. VTDB-nBuOH treatment was associated with reduced paw swelling, lower serum levels of rheumatoid factor (RF) and C-reactive protein (CRP), and improved synovial histopathology. The treatment was also associated with reduced levels of pro-inflammatory cytokines and alterations in the levels of proteins associated with PI3K/Akt, JAK2/STAT3, and the downstream IKK/IκB/NF-κB axis. Additionally, VTDB-nBuOH treatment was associated with a shift in macrophage polarization markers toward an anti-inflammatory M2-like phenotype, suggesting a possible restoration of the M1/M2 balance within the joint microenvironment. 16S rRNA sequencing revealed VTDB-nBuOH treatment-associated changes in gut microbial composition, including enrichment of certain beneficial genera and reduction of some pathogenic taxa. Proteomic analysis also pointed to the PI3K/Akt pathway as a potential node of interest. Collectively, these correlative findings suggest that VTDB-nBuOH may alleviate synovial inflammation and cartilage and bone damage through multi-pathway modulation, though further mechanistic studies are needed to establish causality. VTDB-nBuOH shows preliminary promise for further investigation as a potential candidate for RA treatment.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 10","pages":"e71805"},"PeriodicalIF":2.9,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13659028/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149165373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abdeljalil Elmahdaoui, Manal Zefzoufi, Lansine Diakité, Mohammed Haida, Rabiaa Fdil, Aziz Auhmani, Stefania Garzoli, Zahra Sokar
{"title":"Phytochemical Analysis of Moroccan Mercurialis annua L. and Its Nephroprotective Activity: Evidence Supporting Traditional Renal Uses.","authors":"Abdeljalil Elmahdaoui, Manal Zefzoufi, Lansine Diakité, Mohammed Haida, Rabiaa Fdil, Aziz Auhmani, Stefania Garzoli, Zahra Sokar","doi":"10.1002/cbdv.71802","DOIUrl":"https://doi.org/10.1002/cbdv.71802","url":null,"abstract":"<p><p>Mercurialis annua L. (Euphorbiaceae) is traditionally used to treat renal disorders, although its nephroprotective activity remains poorly documented. This study characterized the phytochemical profile of the Moroccan hydroethanolic extract by UHPLC-ESI/MS, evaluated its acute toxicity, and investigated its protective effect against cyclophosphamide-induced nephrotoxicity in rats. UHPLC-ESI/MS tentatively identified phenolic and flavonoid constituents, including isorhamnetin derivatives, taxifolin, epicatechin, and hydro-p-coumaric acid hexoside. No mortality or treatment-related toxicity was observed up to 5000 mg/kg. Oral administration of the extract (200 and 400 mg/kg) significantly reduced serum creatinine, blood urea nitrogen, kidney weight, and malondialdehyde levels while restoring superoxide dismutase and peroxidase activities. Histopathological examination confirmed marked attenuation of renal damage, particularly at 400 mg/kg. These findings provide the first phytochemical characterization of Moroccan M. annua and support its potential as a safe natural nephroprotective agent through antioxidant-related mechanisms.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 10","pages":"e71802"},"PeriodicalIF":2.9,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13626858/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149104739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sowmitro Das, S M Istiaque Hamim, Md Nazmul Hasan Zilani, Kazi Sneha Chhando, Puza Das, Md Ridoy Hossain, Md Imtiaz, Jebin Tasmin, Roney Miah, Md Nazmul Hasan
{"title":"Exploring the Neuropharmacological Potential of Ligustrum sinense Relevant to Parkinson's Disease: In Vivo and In Silico Study.","authors":"Sowmitro Das, S M Istiaque Hamim, Md Nazmul Hasan Zilani, Kazi Sneha Chhando, Puza Das, Md Ridoy Hossain, Md Imtiaz, Jebin Tasmin, Roney Miah, Md Nazmul Hasan","doi":"10.1002/cbdv.71799","DOIUrl":"https://doi.org/10.1002/cbdv.71799","url":null,"abstract":"<p><p>Medicinal plants are valuable sources of bioactive compounds with potential applications in neurodegenerative disorders. This study investigated the antioxidant, neuropharmacological, and monoamine oxidase (MAO) inhibitory activities of Ligustrum sinense (L. sinense) leaf extract through in vitro, in vivo, and in silico approaches. Antioxidant activity assessed by the DPPH assay demonstrated moderate free radical scavenging capacity (IC<sub>50</sub> = 73.56 ± 2.18 µg/mL) compared with l-ascorbic acid (IC<sub>50</sub> = 7.29 ± 2.86 µg/mL). Behavioral evaluations using the open field, hole cross, elevated plus maze, and hole board tests revealed no significant sedative effects at 200 and 400 mg/kg, while dose-dependent anxiolytic-like activity was observed through increased exploratory and head-dipping behaviors. Computational analyses, including molecular docking, ADMET profiling, PASS prediction, and molecular dynamics (MD) simulations, identified several phytocompounds with notable affinity toward MAO-A and MAO-B, key therapeutic targets in Parkinson's disease (PD). CID-91697556 exhibited the strongest interaction with MAO-B (-10.478 kcal/mol), whereas CID-519540 showed dual inhibitory potential against MAO-A (-6.901 kcal/mol) and MAO-B (-8.978 kcal/mol). These compounds demonstrated favorable pharmacokinetic properties and stable protein-ligand interactions. Collectively, L. sinense shows promising neuropharmacological potential and may represent a natural source for future PD-related drug discovery, warranting further experimental validation and bioactive compound isolation.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 10","pages":"e71799"},"PeriodicalIF":2.9,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13626602/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149104746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Natasha Silva Mayrink, Julia Bertolini Fajardo, Mariane Rocha Cordeiro Comitre, Lucas de Araújo Carvalho, Mariana Iasbeck Dalcol, Priscila de Lima Paula, Lara Melo Campos, Maria Clara Machado Resende Guedes, Luiz Fernando Cappa de Oliveira, Elaine Soares Coimbra, Gilson Costa Macedo, Ângelo Márcio Leite Denadai, Ari Sérgio de Oliveira Lemos, Rodrigo Luiz Fabri
{"title":"Synergistic Phytochemicals From Mitracarpus frigidus (Willd. ex Roem. & Schult.) K. Schum. and Lantana camara Linn. in Chitosan Biofilms: Antioxidant and Anti-Inflammatory Activities With Wound-Healing Potential.","authors":"Natasha Silva Mayrink, Julia Bertolini Fajardo, Mariane Rocha Cordeiro Comitre, Lucas de Araújo Carvalho, Mariana Iasbeck Dalcol, Priscila de Lima Paula, Lara Melo Campos, Maria Clara Machado Resende Guedes, Luiz Fernando Cappa de Oliveira, Elaine Soares Coimbra, Gilson Costa Macedo, Ângelo Márcio Leite Denadai, Ari Sérgio de Oliveira Lemos, Rodrigo Luiz Fabri","doi":"10.1002/cbdv.71645","DOIUrl":"https://doi.org/10.1002/cbdv.71645","url":null,"abstract":"<p><p>Skin disorders associated with inflammation and oxidative stress remain challenging to treat, highlighting the need for safe and effective topical therapies. This study investigated the association of aqueous extract of Mitracarpus frigidus aerial parts (MFAq) and hydroalcoholic extract of Lantana camara leaves (LCHA) incorporated into chitosan-based films for potential dermatological applications. Different extract ratios were initially evaluated for phytochemical composition, cytotoxicity, antioxidant, and anti-inflammatory activities. The 1:1 MFAq:LCHA association was selected based on its balanced phytochemical profile, low cytotoxicity, and significant biological activity, with eleven major compounds identified by UFLC-QTOF-MS. This association reduced nitric oxide production by 88.83% and lipid droplet accumulation by 59.48%, while showing pronounced antioxidant activity. Chitosan films containing 0.5%, 1.0%, and 2.5% (w/w) of the selected association were homogeneous, thermally stable, and exhibited suitable mechanical and physicochemical properties for topical application. The films maintained high cell viability and demonstrated significant antioxidant, anti-inflammatory, and wound-healing activities, including reductions in nitric oxide (up to 59.58%), reactive oxygen species, and pro-inflammatory cytokines (up to 40.57% and 62.27% for IL-6 and IL-12), as well as enhanced fibroblast migration. Overall, these findings indicate that MFAq:LCHA-loaded chitosan films represent a promising biodegradable and multifunctional platform for the treatment of skin disorders associated with inflammation and oxidative stress. Further in vivo studies are warranted to confirm their therapeutic efficacy and safety.</p>","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":"23 10","pages":"e71645"},"PeriodicalIF":2.9,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13627852/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149104798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}