Frontiers in ChemistryPub Date : 2025-03-14eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1492533
Ke Yang, Yi-Jun Liu, Jia-Ning Zhang, Ya-Jing Chen, Jian Yang, Jun-Ping Xiao, Han-Bin Lin, Hong-Jun Yang
{"title":"Advances in the structural characterization and pharmacological activity of Salvia miltiorrhiza polysaccharides.","authors":"Ke Yang, Yi-Jun Liu, Jia-Ning Zhang, Ya-Jing Chen, Jian Yang, Jun-Ping Xiao, Han-Bin Lin, Hong-Jun Yang","doi":"10.3389/fchem.2025.1492533","DOIUrl":"10.3389/fchem.2025.1492533","url":null,"abstract":"<p><strong>Background: </strong><i>Salvia miltiorrhiza</i> Bunge is the dried root and rhizome of <i>Salvia miltiorrhiza</i> Bunge, a labiatae plant. <i>Salvia miltiorrhiza</i> polysaccharide (SMP) is the main active component of <i>Salvia miltiorrhiza</i> Bunge. The extraction methods of SMP mainly include water extraction, ultrasonic extraction, enzyme extraction, microwave-assisted extraction and acid-base extraction. It is mainly composed of glucose, arabinose, rhamnose, galactose and other monosaccharides. SMP has a variety of biological activities, including immune regulation, anti-tum, anti-oxidation, myocardial protection, liver protection and so on.</p><p><strong>Purpose: </strong><i>Salvia miltiorrhiza</i> polysaccharide is widely used in nutraceuticals and pharmaceuticals, and has high research value. Natural polysaccharides are non-toxic, soluble in water, and have a wide range of biological activities, so they have broad research prospects.</p><p><strong>Methods: </strong>The data was collected using different online resources including PubMed, Google Scholar, and Web of Science using keywords given below.</p><p><strong>Results: </strong>In the past decades, various reports have shown that the pharmacological activities of <i>Salvia miltiorrhiza</i> polysaccharides have good effects, and the side effects are small.</p><p><strong>Conclusion: </strong>This paper summarizes the extraction and purification methods, molecular weight, monosaccharide composition, glycosidic linkage, pharmacological activity, toxicity, product development, clinical research and other contents of <i>Salvia miltiorrhiza</i> polysaccharides in recent years, providing a theoretical basis for further study of <i>Salvia miltiorrhiza</i> polysaccharides.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1492533"},"PeriodicalIF":3.8,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11949878/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143751875","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}
Frontiers in ChemistryPub Date : 2025-03-12eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1549441
Matthew J Guberman-Pfeffer, Caleb L Herron
{"title":"Cytochrome \"nanowires\" are physically limited to sub-picoamp currents that suffice for cellular respiration.","authors":"Matthew J Guberman-Pfeffer, Caleb L Herron","doi":"10.3389/fchem.2025.1549441","DOIUrl":"10.3389/fchem.2025.1549441","url":null,"abstract":"<p><p>Mineral-respiring microorganisms from hydrothermal vents to terrestrial soils express filaments that electrically connect intracellular respiration to extracellular geochemistry. Filaments dubbed \"cytochrome nanowires\" (CNs) have been resolved by CryoEM, but whether they are the two-decades-long sought-after physiological \"nanowires\" remains unproven. To assess their functional competence, we analyzed biological redox conduction in all CNs by computing driving forces in the presence of redox anti-cooperativities, reorganization energies with electronic polarizability, and Marcus rates for diffusive and protein-limited flux models. The chain of heme cofactors in any CN must be densely packed to realize weak (≤0.01 eV) electronic coupling for electron transfer, as evidenced by a single Soret band produced from coincidental absorptions on multiple hemes. Dense packing, in turn, has three consequences: (1) limited driving forces (≤|0.3| eV) due to shared electrostatic microenvironments, (2) strong (≤0.12 eV) redox anti-cooperativities that would accentuate the free energy landscape if the linear heme arrangement did not dictate a contra-thermodynamic oxidation order, and (3) an entropic penalty that is offset by thioether 'tethers' of the hemes to the protein backbone. These linkages physically necessitate the rate-throttling T-stacked motif (10-fold slower than the other highly conserved slip-stacked motif). If the sequence of slip- and T-stacked hemes in the CNs had the fastest known nanosecond rates at every step, a micron-long filament would carry a diffusive 0.02 pA current at a physiological 0.1 V, or a protein-limited current of 0.2 pA. Actual CNs have sub-optimal (≤10<sup>2</sup>-fold lower), but sufficient conductivities for cellular respiration, with at most thousands of filaments needed for total cellular metabolic flux. Reported conductivities once used to argue for metallic-like pili against the cytochrome hypothesis and now attributed to CNs remain inconsistent by 10<sup>2</sup>-10<sup>5</sup>-fold with the physical constraints on biological redox conduction through multiheme architectures.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1549441"},"PeriodicalIF":3.8,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11936953/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143718122","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}
Frontiers in ChemistryPub Date : 2025-03-12eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1549186
Sushma Pradeep, M R Sai Chakith, S R Sindhushree, Pruthvish Reddy, Esther Sushmitha, Madhusudan N Purohit, Divya Suresh, Nanjunda Swamy Shivananju, Ekaterina Silina, Natalia Manturova, Victor Stupin, Shiva Prasad Kollur, Chandan Shivamallu, Raghu Ram Achar
{"title":"Exploring shared therapeutic targets for Alzheimer's disease and glioblastoma using network pharmacology and protein-protein interaction approach.","authors":"Sushma Pradeep, M R Sai Chakith, S R Sindhushree, Pruthvish Reddy, Esther Sushmitha, Madhusudan N Purohit, Divya Suresh, Nanjunda Swamy Shivananju, Ekaterina Silina, Natalia Manturova, Victor Stupin, Shiva Prasad Kollur, Chandan Shivamallu, Raghu Ram Achar","doi":"10.3389/fchem.2025.1549186","DOIUrl":"10.3389/fchem.2025.1549186","url":null,"abstract":"<p><strong>Background: </strong>Alzheimer's disease (AD) and glioblastoma (GBM) are complex neurological disorders with distinct pathologies but overlapping molecular mechanisms, including neuroinflammation, oxidative stress, and dysregulated signaling pathways. Despite significant advancements in research, effective therapies targeting both conditions remain elusive. Identifying shared molecular targets and potential therapeutic agents could offer novel treatment strategies for these disorders.</p><p><strong>Methodology: </strong>The study employs an integrative network pharmacology approach to explore the therapeutic potential of bioactive compounds from <i>Eclipta alba</i>, a medicinal herb known for its neuroprotective and anti-inflammatory properties. A systematic methodology was adopted, starting with network pharmacology analysis using STRING and DisGeNET databases, which identified 617 common genes associated with AD and GBM. Among these, key hub genes-TP53, STAT3, AKT1, and IL6-were prioritized using Cytoscape for network visualization and analysis.</p><p><strong>Results: </strong>Molecular docking studies were conducted using PyRx software to assess the binding interactions of 26 phytochemicals from Eclipta alba against the identified target genes. Luteolin exhibited the highest binding affinity to IL6 (-7.8 kcal/mol), forming stable hydrogen bonds and hydrophobic interactions. To further validate this interaction, molecular dynamics simulations (MDS) were performed using GROMACS, confirming the stability of the Luteolin-IL6 complex. Additionally, MM-PBSA binding energy calculations using AmberTools (-145.44 kJ/mol) provided further evidence of a strong and stable interaction. Pharmacokinetic and toxicity evaluations, conducted using SwissADME and pkCSM, highlighted luteolin's favorable drug-like properties, including good bioavailability and low toxicity. These findings suggest that luteolin may serve as a promising multi-target therapeutic agent for AD and GBM by modulating key pathological pathways.</p><p><strong>Conclusion: </strong>The present study provides a strong computational foundation for further <i>in vitro</i> and <i>in vivo</i> validation. The results highlight the potential of luteolin in developing dual-target treatment strategies for neurodegenerative and oncological disorders, offering new avenues for therapeutic advancements.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1549186"},"PeriodicalIF":3.8,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11938128/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143718123","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}
Frontiers in ChemistryPub Date : 2025-03-12eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1536199
Geethu Kuriachan, A Parthiban
{"title":"Computation of domination degree-based topological indices using python and QSPR analysis of physicochemical and ADMET properties for heart disease drugs.","authors":"Geethu Kuriachan, A Parthiban","doi":"10.3389/fchem.2025.1536199","DOIUrl":"10.3389/fchem.2025.1536199","url":null,"abstract":"<p><p>Heart disease is a leading cause of death worldwide, highlighting the need for effective treatments for hypertension, arrhythmias, and high cholesterol. This study applies chemical graph theory to analyze the properties of seventeen heart disease drugs by evaluating minimal dominating sets and counting node appearances in these sets. Using Python, six domination degree-based topological indices from the <math> <mrow> <msub><mrow><mi>ϕ</mi></mrow> <mrow><mi>d</mi></mrow> </msub> </mrow> </math> -polynomial are computed. Regression analysis, including curvilinear and multilinear models, identified correlations between these indices and the physicochemical and ADMET properties of these drugs. QSPR models are developed to assess the ability of these indices to predict key properties, offering insights into their effectiveness for drug design.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1536199"},"PeriodicalIF":3.8,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11937137/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143718015","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}
Frontiers in ChemistryPub Date : 2025-03-11eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1555574
Farouk Boudou, Amal Belakredar, Ahcene Keziz, Huda Alsaeedi, David Cornu, Mikhael Bechelany, Ahmed Barhoum
{"title":"<i>Camellia sinensis</i> phytochemical profiling, drug-likeness, and antibacterial activity against gram-positive and gram-negative bacteria: <i>in vitro</i> and <i>in silico</i> insights.","authors":"Farouk Boudou, Amal Belakredar, Ahcene Keziz, Huda Alsaeedi, David Cornu, Mikhael Bechelany, Ahmed Barhoum","doi":"10.3389/fchem.2025.1555574","DOIUrl":"10.3389/fchem.2025.1555574","url":null,"abstract":"<p><strong>Background: </strong><i>Camellia sinensis</i> extracts have a rich phytochemical profile and therapeutic properties. The plant contains bioactive compounds, such as catechins, flavonoids, and phenolic acids, which are associated with various health benefits, including antioxidant, anti-inflammatory, and anticancer activities.</p><p><strong>Aim: </strong>To investigate the bioactive potential of a <i>Camellia sinensis</i> extract, particularly its antibacterial activity against Gram-positive and Gram-negative bacteria and its drug-like properties.</p><p><strong>Method: </strong>Phenolic compounds in <i>C. sinensis</i> extract were identified and quantified using high-performance liquid chromatography (<i>HPLC</i>). Its antibacterial activity was assessed against both Gram-positive (<i>Staphylococcus aureus</i>) and Gram-negative bacteria (<i>Pseudomonas aeruginosa</i> and <i>Escherichia coli</i>). Drug-likeness, toxicity, and molecular properties of the identified compounds were investigated using computational approaches. Additionally, binding affinities of selected compounds were predicted via molecular docking to elucidate potential antibacterial mechanisms.</p><p><strong>Results: </strong><i>HPLC</i> identified caffeic acid (10.32 mg/g), epigallocatechin gallate (<i>EGCG</i>, 8.74 mg/g), syringic acid (6.21 mg/g), and quercetin (15.29 mg/g). Antibacterial activity testing revealed inhibition zones ranging from 10.62 mm for Gram-negative <i>E. coli</i> to 18.65 mm for Gram-positive <i>S. aureus</i>, comparable to gentamicin (19.42 mm). Molecular docking predicted that <i>EGCG</i> (-9.8 kcal/mol) was the most potent compound against Gram-negative <i>P. aeruginosa</i> RNase PH, followed by quercetin (-8.7 kcal/mol). Drug-likeness modeling indicated favorable profiles for most compounds, although <i>EGCG</i> violated Lipinski's rule due to its molecular weight (458.4 g/mol). Density Functional Theory analysis revealed significant variations in electronic properties among the selected compounds, with quercetin exhibiting the smallest HOMO-LUMO gap (2.31 eV), suggesting high reactivity. MD simulations confirmed the stability of the <i>EGCG</i>-protein complex, with RMSD values (∼2.5-3.0 Å), reduced RMSF at key residues, and stable Rg (∼18-20 Å).</p><p><strong>Discussion: </strong>The results highlight that <i>C. sinensis</i> is a valuable source of bioactive phenolic compounds with promising antibacterial properties against both Gram-positive and Gram-negative bacteria, particularly <i>EGCG</i>. Quercetin, the most abundant compound, showed better chemical stability (higher HOMO-LUMO gap), but its lower binding affinity suggests that <i>EGCG</i> is a more effective therapeutic candidate. Moreover, the antibacterial activity of these compounds positions them as potential alternatives to conventional antibiotics. Future research should focus on <i>in vivo</i> validation, structure-activity optimization, and formulation development to improv","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1555574"},"PeriodicalIF":3.8,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11932987/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143708219","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}
Frontiers in ChemistryPub Date : 2025-03-10eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1525997
Jun Fukushima, Yuya Okawa, Tomoaki Miyazawa, Hirotsugu Takizawa, Satoshi Fujii
{"title":"Microwave-induced plasma reduction of Sc<sub>2</sub>O<sub>3</sub> for sustainable Al<sub>3</sub>Sc alloy production: <i>In Situ</i> analysis of Al<sub>3</sub>Sc formation mechanisms.","authors":"Jun Fukushima, Yuya Okawa, Tomoaki Miyazawa, Hirotsugu Takizawa, Satoshi Fujii","doi":"10.3389/fchem.2025.1525997","DOIUrl":"10.3389/fchem.2025.1525997","url":null,"abstract":"<p><p>This study aimed to elucidate the reaction mechanism of the microwave irradiation method, a novel approach for synthesizing scandium (Sc) and aluminum (Al). Sc<sub>2</sub>O<sub>3</sub> and Al mixed powders were exposed to Mg vapor or Mg plasma. <i>In situ</i> gas analysis and XRD analysis revealed that Al<sub>3</sub>Sc was formed as a result of Al pulling out Sc while Mg acted as an oxygen getter. In particular, Mg plasma was shown to directly reduce Sc<sub>2</sub>O<sub>3</sub> and significantly increase Al<sub>3</sub>Sc formation due to its high-energy state. These findings highlight the crucial role of Al and Mg vapors in the synthesis of Sc-containing alloys and demonstrate that Mg plasma accelerates the reaction rate through a distinct mechanism compared to Mg vapor. This study's outcomes are expected to contribute to the development of environmentally friendly and efficient processes for producing Sc-containing aluminum alloys using Sc<sub>2</sub>O<sub>3</sub>, a material challenging to smelt by conventional methods.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1525997"},"PeriodicalIF":3.8,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11931023/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143700075","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":"The traditional Chinese medicine formula Zhihan Anshen Tang (ZHAST) against obstructive sleep apnea hypopnea syndrome: network pharmacology and molecular docking approach.","authors":"Cai-Li Li, Yu-Xiang Zhang, Xing-Jie Zheng, Shuo Li, Jing Feng","doi":"10.3389/fchem.2025.1524087","DOIUrl":"10.3389/fchem.2025.1524087","url":null,"abstract":"<p><strong>Introduction: </strong>The current treaments for Obstructive Sleep Apnea Hypopnea (OSAHS) are Continuous Positive Airway Pressure (CPAP) and lifestyle modifications, which is not suitable for all patients. Traditional Chinese medicine (TCM) has increasingly demonstrated its efficacy and benefits in treating OSAHS. Zhihan Anshen Tang (ZHAST), has been demonstrated its efficacy and clinical metrics for treating OSAHS patients. However, its key ingredients and mechanisms of action are still unknown.</p><p><strong>Methods: </strong>Using network pharmacology, we investigated the potential mechanisms of ZHAST through which OSAHS.</p><p><strong>Results: </strong>In addition, the key targets, including TNF, IL6, GAPDH, STAT3, HIF1A, and JUN, are revealed by the topological analysis. According to the findings of the GO enrichment analysis, genes were enriched in inflammatory responses, hypoxia responses, positive regulation of angiogenesis, protein phosphorylation, and regulation of cell proliferation. KEGG pathway enrichment analysis suggests that the signaling pathway of ZHAST in OSAHS are MAPK and AGE-RAGE signaling pathway, especially in diabetic complications. In addition, it is demonstrated that the enoxolone in ZHASTs have high affinity with the relevant targets by molecular docking and molecular dynamics simulations.</p><p><strong>Disscussion: </strong>To my knowledge, this is the first network pharmacological molecular docking study about a Chinese medicine effective against OSA. This investigation integrates molecular docking and network pharmacology to identify the effective compounds, related targets, and potential mechanism of ZHASTs in the treatment of OSAHS, providing the prospect of traditional Chinese medicines with modern medical research.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1524087"},"PeriodicalIF":3.8,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11931058/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143700077","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":"A laboratory-friendly protocol for freeze-drying sample preparation in ToF-SIMS single-cell imaging.","authors":"Xiujuan Shi, Mingru Liu, Yue Qi, Hongzhe Ma, Zhaoying Wang, Yanhua Chen, Zeper Abliz","doi":"10.3389/fchem.2025.1523712","DOIUrl":"10.3389/fchem.2025.1523712","url":null,"abstract":"<p><p>ToF-SIMS is a high spatial resolution imaging technique for cellular or subcellular analysis of biological samples. Accurate molecular data in single-cell studies depend on proper cell morphology and chemical integrity, highlighting the importance of sample preparation. In this work, we standardized a more efficient freeze-drying method using standard lab materials and improved the sample preparation process. Our comprehensive freeze-drying protocol for cellular samples, encompassing washing, fixation, and drying steps, facilitates the acquisition of enhanced cellular information and ensures high reproducibility. These improvements are poised to significantly advance single-cell mass spectrometry imaging research.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1523712"},"PeriodicalIF":3.8,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11925917/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143691541","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}
Frontiers in ChemistryPub Date : 2025-03-07eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1537877
Amine Elbouzidi, Mohamed Taibi, Abdellah Baraich, Mounir Haddou, Ramzi A Mothana, Sami A Alsufyani, Hany W Darwish, Roland Molinié, Jean-Xavier Fontaine, Ophélie Fliniaux, François Mesnard, Mohamed Addi
{"title":"Elicitor-driven enhancement of phenolic compounds in geranium callus cultures: phytochemical profiling via LC-MS/MS and biological activities.","authors":"Amine Elbouzidi, Mohamed Taibi, Abdellah Baraich, Mounir Haddou, Ramzi A Mothana, Sami A Alsufyani, Hany W Darwish, Roland Molinié, Jean-Xavier Fontaine, Ophélie Fliniaux, François Mesnard, Mohamed Addi","doi":"10.3389/fchem.2025.1537877","DOIUrl":"10.3389/fchem.2025.1537877","url":null,"abstract":"<p><p>This research explores the effects of chitosan (CHT) and salicylic acid (SA) as elicitors on the production of phenolic and flavonoid compounds in <i>Pelargonium graveolens</i> Hort. Callus cultures on solid media, aiming to enhance antioxidant, anti-tyrosinase, and anti-elastase properties. Calli were treated with various concentrations of CHT (25, 50, 75, and 100 mg/mL) and SA (25, 50, 75, and 100 µM), and their phytochemical profiles were examined through LC-MS/MS analysis. The findings indicated that salicylic acid (SA) and chitosan (CHT) notably enhanced the levels of total phenolic content (TPC) and total flavonoid content (TFC). The greatest increase in TPC was seen in cultures treated with 25 µM of salicylic acid (SA<sub>2</sub>), recording 336.80 ± 8.35 mg/100 g dry weight (DW), and in cultures treated with 100 mg/mL of chitosan (CHT<sub>5</sub>), which showed 325.74 ± 7.81 mg/100 g DW. Among individual phenolics, kaempferol showed a remarkable increase under SA<sub>2</sub> (192.82 ± 17.99 mg/100 g DW) compared to the control (103.68 ± 5.00 mg/100 g DW), and CHT<sub>5</sub> treatment (119.68 ± 12.01 mg/100 g DW). Additionally, rutin accumulation peaked at 30.64 ± 3.00 mg/100 g DW under SA<sub>2</sub> treatment. Antioxidant activities, measured by DPPH and TAC assays, were also enhanced, with SA<sub>2</sub> and CHT<sub>5</sub> treatments showing significant improvement over the control. The SA<sub>2</sub>-elicited cultures exhibited superior anti-tyrosinase and anti-elastase activities, with IC<sub>50</sub> values of 51.43 ± 1.31 μg/mL, 35.42 ± 4.42 μg/mL, and 31.84 ± 0.60 μg/mL, respectively. These findings suggest that elicitors effectively boost the bioactive compound production in <i>P. graveolens</i> calli, and subsequently the biological activity, highlighting their potential in developing natural skincare products with antioxidant and anti-aging benefits.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1537877"},"PeriodicalIF":3.8,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11925866/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143691543","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}
Frontiers in ChemistryPub Date : 2025-03-07eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1563537
Miroslaw Gilski, Mannar R Maurya, Boguslaw Nocek, Krzysztof Brzezinski
{"title":"Editorial: The influence of metal ions and their complexes on the function and structure of biological macromolecules.","authors":"Miroslaw Gilski, Mannar R Maurya, Boguslaw Nocek, Krzysztof Brzezinski","doi":"10.3389/fchem.2025.1563537","DOIUrl":"https://doi.org/10.3389/fchem.2025.1563537","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1563537"},"PeriodicalIF":3.8,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11926804/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143691542","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}