Molecules最新文献_第2页

Reduced Graphene Oxide-Coated Iridium Oxide as a Catalyst for the Oxygen Evolution Reaction in Alkaline Water Electrolysis. 还原氧化石墨烯包覆氧化铱作为碱水电解析氧反应的催化剂。

IF 4.2 2区化学

Molecules Pub Date : 2025-05-07 DOI: 10.3390/molecules30092069

Shengyin Luo, Ziqing Zuo, Hongbin Sun

{"title":"Reduced Graphene Oxide-Coated Iridium Oxide as a Catalyst for the Oxygen Evolution Reaction in Alkaline Water Electrolysis.","authors":"Shengyin Luo, Ziqing Zuo, Hongbin Sun","doi":"10.3390/molecules30092069","DOIUrl":"10.3390/molecules30092069","url":null,"abstract":"Producing hydrogen by water electrolysis has attracted significant attention as a potential renewable energy solution. In this work, a catalyst with reduced graphene oxide (rGO) loaded on IrO2/TiO2 (called rGO/IrO2/TiO2) was designed for the catalytic oxygen evolution reaction (OER). The catalyst was synthesized by coating graphene oxide onto a pretreated IrO2/TiO2 precursor, followed by thermal treatment at 450 °C to achieve reduction and the adhesion of graphene to the substrate. The graphene support retained its intact sp2 carbon framework with minor oxygen-containing functional groups, which enhanced electrical conductivity and hydrophilicity. Benefiting from the synergistic effect of an rGO, IrO2, and TiO2 matrix, the rGO/IrO2/TiO2 catalyst only needed overpotentials of 240 mV and 320 mV to reach 10 mA cm-2 and 100 mA cm-2 in the OER, along with excellent stability over 50 h. Its morphology and crystalline structure were characterized by SEM and XRD spectroscopy, and its electrochemical performance was tested by LSV analysis, EIS impedance spectrum, and double-layer capacitance (Cdl) measurements. This work introduces an innovative and eco-friendly strategy for constructing a high-performance, functionalized Ir-based catalyst.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073217/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144020666","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Morus alba L. Cell Cultures as Sources of Antioxidant and Anti-Inflammatory Stilbenoids for Food Supplement Development. 桑葚细胞培养物作为食品补充剂开发中抗氧化和抗炎甾烯类化合物的来源。

IF 4.2 2区化学

Molecules Pub Date : 2025-05-07 DOI: 10.3390/molecules30092073

Vanessa Dalla Costa, Anna Piovan, Paola Brun, Raffaella Filippini

{"title":"Morus alba L. Cell Cultures as Sources of Antioxidant and Anti-Inflammatory Stilbenoids for Food Supplement Development.","authors":"Vanessa Dalla Costa, Anna Piovan, Paola Brun, Raffaella Filippini","doi":"10.3390/molecules30092073","DOIUrl":"10.3390/molecules30092073","url":null,"abstract":"Morus alba L. (Moraceae), white mulberry, is an ancient, well-known source of several compounds with potent biological activities and beneficial effects on human health. In this study, the juices of three stabilised undifferentiated cell lines, calli maintained in light and dark conditions, and suspensions maintained in dark condition of M. alba were investigated for their phytochemical content and biological activity. The results highlighted the main presence of oxyresveratrol and resveratrol-backbone glucosides, together with benzofuran derivatives. Oxyresveratrol triglucoside was found for the first time in M. alba in vitro cultures, where it represents the main compound, accounting for almost 90 µg/mL in all the juices. The total stilbenoid content resulted significantly higher in calli juices during the logarithmic phase of the growth cycle, and cell suspension juice exhibited the statistically highest total content (313.21 µg/mL of juice). Only cell suspension juice showed ROS reduction in Caco-2 cells, whereas all the juices reduced IL-1β and TNF-α levels in Caco-2 cells stimulated with LPS. These results lay the groundwork for the future exploitation of M. alba dedifferentiated cultures as sustainable resources of stilbenoid compounds to be used in the nutraceutical, cosmetic, and pharmaceutical industries.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073631/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144032090","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Can Provence Flora Offer Effective Alternatives to Widely Used Medicinal Plants? A Comparative Study of Antioxidant Activity and Chemical Composition Using Molecular Networking. 普罗旺斯植物群能提供广泛使用的药用植物的有效替代品吗？基于分子网络的抗氧化活性与化学成分比较研究。

IF 4.2 2区化学

Molecules Pub Date : 2025-05-07 DOI: 10.3390/molecules30092072

Clémentine Achard-Baccati, Elnur Garayev, Charifat Saïd Hassane, Célia Breaud, Eldar Garaev, Myriam Bertolotti, Fathi Mabrouki, Sok-Siya Bun-Llopet, Béatrice Baghdikian

{"title":"Can Provence Flora Offer Effective Alternatives to Widely Used Medicinal Plants? A Comparative Study of Antioxidant Activity and Chemical Composition Using Molecular Networking.","authors":"Clémentine Achard-Baccati, Elnur Garayev, Charifat Saïd Hassane, Célia Breaud, Eldar Garaev, Myriam Bertolotti, Fathi Mabrouki, Sok-Siya Bun-Llopet, Béatrice Baghdikian","doi":"10.3390/molecules30092072","DOIUrl":"10.3390/molecules30092072","url":null,"abstract":"This study compares the antioxidant properties and phytochemical profiles of three pairs of widely used medicinal plant species to their counterparts from Provence, France: Arnica montana with Pentanema montanum (formerly known as Inula montana), Helichrysum italicum with Helichrysum stoechas, and Satureja hortensis with Satureja montana. Phytochemical composition has been investigated using UHPLC-HRMS/MS and molecular networking, revealing chemical profiles dominated by phenylpropanoids and flavonoids, with lignans, sesquiterpene lactones, or polyketides aside. Well-plate DPPH/ABTS assays were used to evaluate the antioxidant activity of extracts, and post-column assays were used to identify antioxidant compounds. The three Provence species demonstrated comparable or superior antioxidant activities to their counterparts, primarily attributed to phenolic compounds such as mono- and di-caffeoylquinic acids, quercetagetin-7-O-glucoside, and myricetin acetylhexoside. These findings show the potential of Provence species to be substituted for some overharvested medicinal plants. This research supports biodiversity conservation while promoting the integration of these local species into pharmaceutical, nutraceutical, cosmetic, and food industries.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073109/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144029158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Structure of a DNA Glycosylase Bound to a Nicked T:G Mismatch-Containing DNA. DNA糖基化酶与含T:G错配的DNA结合的结构。

IF 4.2 2区化学

Molecules Pub Date : 2025-05-07 DOI: 10.3390/molecules30092083

Hala Ouzon-Shubeita, Rebecca Barnes, Lillian F Schmaltz, Seongmin Lee

{"title":"Structure of a DNA Glycosylase Bound to a Nicked T:G Mismatch-Containing DNA.","authors":"Hala Ouzon-Shubeita, Rebecca Barnes, Lillian F Schmaltz, Seongmin Lee","doi":"10.3390/molecules30092083","DOIUrl":"10.3390/molecules30092083","url":null,"abstract":"Mismatched T:G base pairs can arise during de novo replication as well as base excision repair (BER). In particular, the action of the gap-filling polymerase β (Polβ) can generate a T:G pair as well as a nick in the DNA backbone. The processing of a nicked T:G mispair is poorly understood. We are interested in understanding whether the T:G-specific DNA glycosylase MBD4 can recognize and process nicked T:G mismatches. We have discovered that MBD4 binds a nicked T:G-containing DNA, but does not cleave thymine opposite guanine. To gain insight into this, we have determined a crystal structure of human MBD4 bound to a nicked T:G-containing DNA. This structure displayed the full insertion of thymine into the catalytic site and the recognition of thymine based on the catalytic site's amino acid residues. However, thymine excision did not occur, presumably due to the inactivation of the catalytic D560 carboxylate nucleophile via a polar interaction with the 5'-hydrogen phosphate of the nicked DNA. The nicked complex was greatly stabilized by an ordered water molecule that formed four hydrogen bonds with the nicked DNA and MBD4. Interestingly, the arginine finger R468 did not engage in the phosphate pinching that is commonly observed in T:G mismatch recognition complex structures. Instead, the guanidinium moiety of R468 made bifurcated hydrogen bonding interactions with O6 of guanine, thereby stabilizing the estranged guanine. These observations suggest that R468 may sense and disrupt T:G pairs within the DNA duplex and stabilize the flipped-out thymine. The structure described here would be a close mimic of an intermediate in the base extrusion pathway induced by DNA glycosylase.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073362/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144002692","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ultrasound-Assisted Ferritin Extraction from Northern Pike Liver: An Innovative Approach for Chlorogenic Acid Encapsulation with Enhanced Thermal Stability. 超声辅助铁蛋白提取北梭子鱼肝脏：绿原酸包封提高热稳定性的创新方法。

IF 4.2 2区化学

Molecules Pub Date : 2025-05-07 DOI: 10.3390/molecules30092080

Zhikun Xing, Yi Wang, Yabo Wei, Xin Guo, Xiaoyue Liang, Xiaorong Deng, Lianfu Zhang, Jian Zhang

{"title":"Ultrasound-Assisted Ferritin Extraction from Northern Pike Liver: An Innovative Approach for Chlorogenic Acid Encapsulation with Enhanced Thermal Stability.","authors":"Zhikun Xing, Yi Wang, Yabo Wei, Xin Guo, Xiaoyue Liang, Xiaorong Deng, Lianfu Zhang, Jian Zhang","doi":"10.3390/molecules30092080","DOIUrl":"10.3390/molecules30092080","url":null,"abstract":"Ferritin, an emerging protein resource, has garnered significant attention in scientific research due to its biocompatibility and unique cavity structure capable of encapsulating bioactive compounds. This study aimed to optimize ultrasound-assisted extraction (UAE) for enhancing ferritin yield from northern pike liver byproducts and evaluate its potential as a nanocarrier for chlorogenic acid (CA). Through response surface methodology (RSM), the optimal UAE parameters were established as 200 W ultrasonic power, 1:3 solid-liquid ratio, and 25 min extraction time. Under these conditions, the ferritin extraction yield reached 139.46 mg/kg, representing a 4.02-fold increase compared to conventional methods (34.65 mg/mL). Electrophoretic analysis confirmed the electrophoretic purity of the extracted liver ferritin. Comprehensive characterization using UV-vis spectroscopy, FTIR, and fluorescence spectroscopy revealed preserved structural integrity of UAE-extracted ferritin. Homology modeling provided molecular insights into the ferritin architecture. Successful encapsulation of CA was achieved with an encapsulation efficiency of 13.25%, as quantified by HPLC. Analysis by DLS and ζ potential as well as TG and DSC showed that not only the thermal stability of CA was enhanced after ferritin encapsulation, but also that the ferritin remained stable with a cage-like structure. This investigation establishes UAE as an effective strategy for valorizing fish processing byproducts through high-yield ferritin extraction while demonstrating the protein's functional capacity as a nanocarrier for bioactive compound delivery. The findings highlight the dual advantage of sustainable resource utilization and advanced delivery system development through this biotechnological approach.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073890/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144025688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effect of Auxins on the Accumulation of Alkaloids in Ungrafted Annona emarginata (Schltdl.) H. Rainer and Annona emarginata (Schltdl.) H. Rainer Grafted with Annona atemoya Mabb. 生长素对未嫁接番荔枝生物碱积累的影响H. Rainer和Annona emarginata （Schltdl）H. Rainer与Annona atemoya mab嫁接。

IF 4.2 2区化学

Molecules Pub Date : 2025-05-07 DOI: 10.3390/molecules30092070

Carolina Ovile Mimi, Iván De-la-Cruz-Chacón, Felipe Moura Araujo da Silva, Victor Cauan Rocha Roberto, Gisela Ferreira

{"title":"Effect of Auxins on the Accumulation of Alkaloids in Ungrafted Annona emarginata (Schltdl.) H. Rainer and Annona emarginata (Schltdl.) H. Rainer Grafted with Annona atemoya Mabb.","authors":"Carolina Ovile Mimi, Iván De-la-Cruz-Chacón, Felipe Moura Araujo da Silva, Victor Cauan Rocha Roberto, Gisela Ferreira","doi":"10.3390/molecules30092070","DOIUrl":"10.3390/molecules30092070","url":null,"abstract":"Plant regulators, such as auxins, modulate the synthesis of specialized metabolites and aid in the bioprospection of molecules. Annona emarginata is known to produce antifungal alkaloids and serves as a rootstock for Annona atemoya. This study evaluated the effects of indoleacetic acid (IAA), indolebutyric acid (IBA), and naphthaleneacetic acid (NAA) applications on the accumulation of alkaloids in ungrafted A. emarginata and grafted with A. atemoya. Total alkaloids were analyzed by spectrophotometry, and alkaloid profiles were analyzed by DI-MS at 8, 14, and 20 days after treatments (DAT). The results indicated that IAA and NAA had the strongest effects on increasing the synthesis of alkaloids in the roots of ungrafted seedlings. In grafted plants, IBA had a more pronounced effect on roots; however, at final evaluation, all three auxins had an impact on both roots and leaves. Chemometric analysis revealed that auxins also altered the alkaloid composition in both seedling types. Nineteen alkaloids were identified regardless of treatment and harvest time. Eight alkaloids were identified for the first time in A. emarginata and nine were identified in A. atemoya. The main alkaloids found in ungrafted seedlings treated with IAA, IBA, and NAA were liriodenine and lanuginosine. In grafted seedlings, liriodenine and reticuline were the primary alkaloids found in roots, whereas liriodenine, lanuginosine, and reticuline were significantly present in leaves. The use of auxins to enhance alkaloid biosynthesis demonstrates their potential for bioprospection and the development of crops tolerant to biotic stress.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073484/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144028800","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Selective Extraction of Aromatics from Slurry Oil with Subcritical Water. 亚临界水选择性萃取油浆中的芳烃。

IF 4.2 2区化学

Molecules Pub Date : 2025-05-07 DOI: 10.3390/molecules30092079

Nuo-Xin Zhou, Zhu-Qi Liu, Meng-Han Zhu, Zi-Bin Huang, Jing-Yi Yang, Li-Tao Wang, Pei-Qing Yuan

{"title":"Selective Extraction of Aromatics from Slurry Oil with Subcritical Water.","authors":"Nuo-Xin Zhou, Zhu-Qi Liu, Meng-Han Zhu, Zi-Bin Huang, Jing-Yi Yang, Li-Tao Wang, Pei-Qing Yuan","doi":"10.3390/molecules30092079","DOIUrl":"10.3390/molecules30092079","url":null,"abstract":"The selective separation of aromatics from slurry oil (SLO)-a low-value byproduct of fluid catalytic cracking-remains a major industrial challenge. This study investigates the use of subcritical water (Sub-CW) as a green and tunable solvent to extract aromatics from SLO in a semi-batch system operating at 250-325 °C. At 325 °C and a water-to-oil mass ratio of 6:1, the extract yield reaches 16 wt%, with aromatic hydrocarbons accounting for over 90 wt% of the extract, predominantly composed of 3- to 4-ring polycyclic aromatic hydrocarbons. Comprehensive characterization via simulated distillation, SARA analysis, FT-IR, and 1H-NMR confirms the selective enrichment of aromatics and effective separation from saturates and asphaltenes. To elucidate the molecular basis of this selectivity, principal component analysis of Hansen solubility parameters was performed. The results revealed a temperature-dependent solubility trend in Sub-CW, whereby the affinity for hydrocarbons follows the order aromatics > cycloalkanes > alkanes. This solubility preference, supported by both experimental data and theoretical analysis, offers new insight into subcritical solvent design and provides a basis for process intensification in SLO valorization.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12074435/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144045429","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Magnetic Solid-Phase Extraction Based on C18 Nanoparticles for the Determination of Pesticides in Aquaculture Water Samples. 基于C18纳米颗粒的磁性固相萃取法测定水产养殖水样中农药

IF 4.2 2区化学

Molecules Pub Date : 2025-05-07 DOI: 10.3390/molecules30092076

Margarita Kapsi, Vasileios Sakkas, Vasiliki Boti, Triantafyllos Albanis

{"title":"Magnetic Solid-Phase Extraction Based on C18 Nanoparticles for the Determination of Pesticides in Aquaculture Water Samples.","authors":"Margarita Kapsi, Vasileios Sakkas, Vasiliki Boti, Triantafyllos Albanis","doi":"10.3390/molecules30092076","DOIUrl":"10.3390/molecules30092076","url":null,"abstract":"In this study, C18-functionalized magnetic silica nanoparticles (Fe3O4@SiO2@C18) were used as adsorbents for the magnetic solid-phase extraction (MSPE) of organic contaminants commonly applied to aquaculture water (organic booster biocides, herbicides, and insecticides) followed by Gas Chromatography coupled to Mass Spectrometry (GC-MS). The extraction conditions and efficiency of the nanoparticles for the determination of ten pesticides (atrazine, ethoxyquine, chlorothalonil, chlorpyriphos methyl, methyl parathion, chlorpyriphos, resmethrin, λ-cyhalothrin, permethrin, and irgarol) were thoroughly investigated. Several experimental parameters affecting the extraction efficiency such as the amount of sorbent, extraction time, and elution time were optimized by employing experimental designs as response surface methodology. Validation experiments showed that the average recoveries of target analytes were in the range of 60% to 99%. The optimized method exhibited good linearity (R2 > 0.9901) and satisfactory precision (Relative Standard deviations, RSDs < 15%). The method detection limits ranged between 1.9 ng L-1 and 62 ng L-1. Finally, the MSPE method was successfully applied to aquaculture water samples collected from the Thesprotia region (N.W. Greece), Thermaikos Gulf (N. Greece) and Butrint (S.W. Albania).","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073648/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144005517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Challenges in the Measurement of the Volume of Phases for HPLC Columns. HPLC色谱柱相体积测定中的挑战。

IF 4.2 2区化学

Molecules Pub Date : 2025-05-06 DOI: 10.3390/molecules30092062

Victor David, Jana Petre, Serban C Moldoveanu

引用次数: 0

In Vitro Anti-Hepatitis B Virus Activity of Hydroxytyrosol from Lindernia ruellioides. 枸杞子羟基酪醇体外抗乙型肝炎病毒活性的研究。

IF 4.2 2区化学

Molecules Pub Date : 2025-05-06 DOI: 10.3390/molecules30092063

Tong-Shi-Yao Zhao, Kang-Zhi Li, He-Ling Su, Bin Liang, Cheng-Qin Liang, Jin-Tao Gao, Xian-Li Zhou

{"title":"In Vitro Anti-Hepatitis B Virus Activity of Hydroxytyrosol from Lindernia ruellioides.","authors":"Tong-Shi-Yao Zhao, Kang-Zhi Li, He-Ling Su, Bin Liang, Cheng-Qin Liang, Jin-Tao Gao, Xian-Li Zhou","doi":"10.3390/molecules30092063","DOIUrl":"10.3390/molecules30092063","url":null,"abstract":"Hepatitis B is a serious infectious disease that threatens the health of all mankind. In this study, we isolated and extracted hydroxytyrosol from Lindernia ruellioides with anti-hepatitis B virus (HBV) activity. The structure of hydroxytyrosol was identified by the nuclear magnetic resonance technique. HepG2.2.15 cell models were used to detect the anti-HBV activity and liver protection of hydroxytyrosol in vitro. Hydroxytyrosol can inhibit hepatitis B surface antigen (HBsAg) and hepatitis B e-antigen (HBeAg). The IC50 values of HBsAg and HBeAg were 4.02 mg/L and 5.19 mg/L, respectively. At the highest concentration of hydroxytyrosol, the inhibition rates of supernatant and intracellular HBV DNA were 75.99% and 66.33%, respectively. Hydroxytyrosol was less toxic to normal human hepatocytes. Molecular docking showed that hydroxytyrosol was bound to three amino acid residues of HBV polymerase with a binding energy of -7.0 kcal/mol. This study provided data for the development and utilization of Lindernia ruellioides and the research and development of anti-hepatitis B virus drugs.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 9","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12073499/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143972990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0