BMC Chemistry最新文献

{"title":"Novel xanthan gum hydrogels boosted with crosslinked carboxymethyl chitosan and zinc oxide nanoparticles: synthesis, characterization and biological activity evaluation","authors":"Dalal M. S. Almuthaybiri,&nbsp;Fahad M. Alminderej,&nbsp;Nadia A. Mohamed","doi":"10.1186/s13065-025-01628-6","DOIUrl":"10.1186/s13065-025-01628-6","url":null,"abstract":"<div><p>Novel series of carboxymethyl chitosan (CMCs)-based hydrogels was prepared using blends of various weight ratios of CMCs and xanthan gum (XG), followed by their crosslinking utilizing trimellitic anhydride isothiocyanate (TAI) in a concentricity relied on the CMCs proportion. The weight ratios of CMCs:XG were 1:3, 1:1, and 3:1, yielding three hydrogels designated by CMCs/XG(1:3), CMCs/XG(1:1), and CMCs/XG(3:1), respectively. For comparing, CL-CMCs was fabricated by crosslinking pure CMCs utilizing TAI. The hydrogels were modified via loading different concentrations of ZnONPs into their matrices, producing CMCs/XG(1:3)/ZnONPs-3%, CMCs/XG(1:3)/ZnONPs-5%, CMCs/XG(3:1)/ZnONPs-3% and CMCs/XG(3:1)/ZnONPs-5%. The chemical, inner, and morphological structures of the hydrogels and their ZnONPs composites were affirmed using the appropriate analytical instruments. Their inhibition performance against the microbes and biofilms was ordered as: CMCs/XG(3:1)/ZnONPs-5% &gt; CMCs/XG(3:1)/ZnONPs-3% &gt; CMCs/XG(1:3)/ZnONPs-5% &gt; CMCs/XG(1:3)/ZnONPs-3% &gt; CL-CMCs &gt; CMCs/XG(3:1) &gt; CMCs/XG(1:1) &gt; CMCs/XG(1:3) &gt; CMCs. While XG doesn’t possess an inhibitory performance against the inspected microbes and biofilms. The CMCs/XG(3:1)-ZnONPs-5% was more effective than <i>Amphotericin B</i> and<i> Vancomycin</i> against almost all the inspected microbial strains. It was secure on the normal human cells. So, incorporation of CL-CMCs and ZnONPs with XG in the same formulations substantially boosted the inhibition efficiency of the produced composites against microbes and biofilms.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01628-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145256083","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}

{"title":"Synthesis, characterization, biological and in-silico evaluation of cuminaldehyde derivatives","authors":"Neetu Singh,&nbsp;Surender Singh Yadav,&nbsp;Sanjiv Kumar,&nbsp;Balasubramanian Narasihman,&nbsp;Kalavathy Ramasamy,&nbsp;Siong Meng Lim,&nbsp;Syed Adnan Ali Shah","doi":"10.1186/s13065-025-01432-2","DOIUrl":"10.1186/s13065-025-01432-2","url":null,"abstract":"<div><p><i>Cuminum cyminum</i> L. is a versatile spice belonging to the family Apiaceae. It exhibits numerous culinary, traditional, and pharmacological attributes. All therapeutic effectiveness of <i>C. cyminum</i> is rendered by its active phytoconstituents. Cuminaldehyde is considered as the major phytocompounds of <i>C. cyminum</i> responsible for the plant’s diverse health attributes. Therefore, in the present study, it was hypothesized that cuminaldehyde derivatives exhibited better pharmacological potential than cuminaldehyde. Therefore, cuminaldehyde derivatives were synthesized, characterized and assessed for their antimicrobial, antioxidant and cytotoxic activities. Cumin essential oil (E.O.B) was also extracted from cumin seeds via the Clevenger apparatus, characterized by GC–MS and pharmacologically compared with newly synthesized cuminaldehyde derivatives (NS-1B to NS-10B). Results revealed that higher antibacterial activity was observed in compounds, E.O.B (ZI_ec = 15.0 ± 0.09 mm), NS-7B (ZI_ec = 14.0 ± 0.08 mm, MIC_ec = 6.25 mg/mL) whereas the highest antifungal activities were noticed in E.O.B (ZI_ao = 12.3 ± 0.12 mm), NS-7B (ZI_fo = 12.4 mm, MIC_{ao, fo} = 12.5 mg/mL). Compounds NS-1B (% RSA_DPPH = 84.39, % RSA_ABTS = 85.16) and NS-7B (% RSA_DPPH = 82.65, % RSA_ABTS = 84.08) had higher antioxidant potential. The highest cytotoxicity was exhibited by compound NS-1B (IC50 = 20.6 µg/mL) and NS-7B (IC50 = 26.1 µg/mL). Compound NS-7B had the highest docking score (-8.372). Results indicated compound NS-7B most suitable pharmacological compound. Hence, further in-depth studies may be conducted on NS<b>-</b>7B for drug development.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12502222/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145237576","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}

{"title":"Chitosan-Al₂O₃ green hydrogel composites: a sustainable approach for Cr(VI) removal from simulated solution","authors":"Rasha S. Kamal,&nbsp;Ebtehal Mosaad Ahmed,&nbsp;Amr Feteha,&nbsp;Mohamed S. Behalo,&nbsp;Manar E. Abdel-Raouf","doi":"10.1186/s13065-025-01633-9","DOIUrl":"10.1186/s13065-025-01633-9","url":null,"abstract":"<div><p>Extensive industrial activities discharge huge amounts of different pollutants into water bodies. Among these pollutants, heavy metals stand as the most poisonous species due to their resistance to biodegradation and their short- and long-term exposure effects. More specific, Cr(VI) is one of the top-five toxic elements that pose potent toxicity to the entire environmental system. In this study, six modified chitosan hydrogel composites (Categorized in two groups and comprised of chitosan or carboxymethyl chitosan crosslinked with acrylamide and incorporating aluminum oxide as an inorganic core) were prepared under the influence of gamma irradiation at an optimized dose (30 kGy) as a facile, environmentally friendly technique. These hydrogels were employed for the removal of Cr(VI) from aqueous solution considering various variables that influencing removal performance, taking structural variation into consideration. The removal process was followed by the AFM to compare between the chromium-free and chromium-loaded surfaces. According to the experimental findings, the following circumstances were ideal for maximizing dye uptake by the optimized samples: pH 2, 120-min contact duration, 0.1 g of sorbent, and a metal concentration of 50 ppm. The maximum metal uptake was achieved by the prepared green sorbents was found competitive (ranging from 48.9 to 51.5 mg/g). Moreover, all the investigated sorbents showed strong removal efficiency and adsorption capability after four cycles of sorption/desorption. However, it was found that the adsorption capacities of the second group's elements was higher than that of the first group. Additionally, the data demonstrated that the adsorption process conformed the pseudo-first order kinetic isotherm and best fit the Freundlich model imposing multilayer adsorption of Cr(VI) onto the sorbent matrix via several mechanisms which is consistent with variable functionalities in the hydrogel matrix.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12502600/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145237524","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}

{"title":"Response surface optimized removal of cefixime from wastewater samples using magnetic ferric oxide nanoparticles","authors":"Rana W. Gaber,&nbsp;Amr M. Mahmoud,&nbsp;Sarah S. Saleh","doi":"10.1186/s13065-025-01635-7","DOIUrl":"10.1186/s13065-025-01635-7","url":null,"abstract":"<div><p>Cefixime is a broad-spectrum cephalosporin antibiotic that is orally administrated to treat bacterial infections diagnosed from mild to moderate ones. Since cefixime is considered a widely used antibiotic in many countries, it was important to develop a method for its removal from water as a part of water purification using an adsorption technique with different nanoparticles. In order to optimize its removal conditions, a fractional factorial design was applied to screen experimental factors including pH, contact time, and amounts of nanoparticles. A three-factor, two-level I-optimal design was designed using Derringer’s desirability algorithm, in which the optimal removal conditions of cefixime were found to be Fe₃O₂ dose (13 mg/L), pH (5.9), and contact time (180 min) at room temperature. An HPLC method was developed for monitoring the adsorption process using a Kinetex C₁₈ stationary phase (100 mm L × 4.6 mm i.d., particle size 5 μm, USA), and a mobile phase consisting of phosphate buffer (adjusted to pH 6.8) and methanol in the ratio of 75: 25 which was pumped at a flow rate of 1 mL/min at room temperature with UV detection at 288 nm. The proposed HPLC method was validated according to ICH guidelines and was assessed using the greenness tools Analytical Eco-scale (AES), GAPI, and AGREE. The removal and analysis procedures were successfully applied to simulated wastewater samples containing cefixime with a bias of 1.9%. The method can be easily applied for large-scale water treatment.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12502269/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145237587","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}

{"title":"Flufenamic acid-based sulfonohydrazide and acetamide derivatives NSAI as inhibitors of multi-targets COX-1/COX-2/5-LOX: design, synthesis, in silico ADMET and binding mode studies","authors":"Shaimaa Hussein,&nbsp;Eman A. Fayed,&nbsp;Ahmed Ragab,&nbsp;Moustafa S. Abusaif,&nbsp;Yousry A. Ammar,&nbsp;Reda El-Sayed Mansou,&nbsp;Arafa Musa,&nbsp;Triveena M. Ramsis","doi":"10.1186/s13065-025-01566-3","DOIUrl":"10.1186/s13065-025-01566-3","url":null,"abstract":"<div><p>Although inflammation triggers immune-mediated healing and repair, chronic inflammation can result in several diseases. Cyclooxygenase (COX) enzymes are inhibited by NSAIDs, which are used to relieve the symptoms of inflammation. Meclofenamic and Zileuton are examples of dual COX/LOX inhibitors that provide improved stomach protection and safer cardiovascular characteristics. This study was aimed to develop anti-inflammatory medications with improved safety profiles by presenting novel flufenamate conjugates that combine 5-LOX inhibitor efficacy with COX inhibition. The COX-1 inhibition of compounds <b>14</b> and <b>15</b> was higher than that of Celecoxib (IC₅₀ = 77.4 µM), with an IC₅₀ range of 15–26 µM. Compounds <b>14</b> and <b>16</b> showed the best selectivity indices (ratio between IC₅₀ of COX-1 and COX-2), which were 5.01 and 5.86 µM, respectively. Conjugates 14 and 16 displayed excellent COX-2 inhibiting activity, with IC₅₀ values of 5.0 -17.6 µM. Outstanding 5-LOX inhibition was demonstrated by all conjugates, with IC₅₀ values varying between 0.6 and 8.5 µM. In RAW 264.7 cells, compounds <b>14</b> and <b>15</b> significantly decreased PGE2 levels to a range of 61–89 pg/mL in contrast to Celecoxib (119.9 pg/mL). Compounds <b>14</b> and <b>17</b> showed exceptional NO scavenging action, with IC₅₀ values of 0.238 × 10⁶ and 0.289 × 10⁶ µM, respectively. mTOR levels dramatically diminished for all conjugates. Conjugates <b>14</b> and <b>17</b> markedly raised levels nrf2. Molecular docking studies were used to validate the findings of this investigation. </p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01566-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210614","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}

{"title":"Recycled aluminum foil waste-derived nano-aluminum oxide adsorbent: an eco-friendly solution for treating phenolic wastewater","authors":"Sara B. Babili,&nbsp;Amina BiBi,&nbsp;Mohammad A. Al-Ghouti","doi":"10.1186/s13065-025-01612-0","DOIUrl":"10.1186/s13065-025-01612-0","url":null,"abstract":"<div><p>This study explored the potential of repurposing domestic foil waste to synthesize nano-aluminum oxide (nano-γ-Al₂O₃) for effective phenol removal from wastewater. The synthesized nano-aluminum oxide was comprehensively characterized using Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Energy-dispersive X-ray (EDX) spectroscopy, Brunauer-Emmett-Teller (BET) surface area analysis, and Fourier-transform Infrared Spectroscopy (FTIR). Characterization revealed functional groups including C = O, C–H, C–O, O–H, and C–C, which facilitate phenol adsorption on the material surface. Batch studies evaluated factors such as initial phenol concentration, pH, temperature, and desorption efficiency. Optimal phenol removal was achieved at pH 8.0 with a maximum adsorption capacity (q_max) of 48.54 mg/g at 35 °C. The thermodynamic analysis indicated a spontaneous and exothermic adsorption process, with ΔH° of -77.6 kJ/mol and ΔS° of 232.2 J/mol·K. The adsorption was attributed to non-covalent interactions between the highest occupied molecular orbital (HOMO) of phenol and the lowest unoccupied molecular orbital (LUMO) of nano-γ-Al₂O₃. In addition, the adsorbent demonstrated effective regeneration using NaOH and effectively removed phenol in real wastewater samples. These findings highlight the potential of waste-derived nano-adsorbents as sustainable solutions for wastewater treatment.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01612-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145197564","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}

{"title":"Evaluation of antibacterial and antibiofilm efficacy of gentamicin-loaded solid lipid nanoparticles (GM-SLNs) against Acinetobacter baumannii infections","authors":"Mohsen Nazari,&nbsp;Seyed Mostafa Hosseini","doi":"10.1186/s13065-025-01626-8","DOIUrl":"10.1186/s13065-025-01626-8","url":null,"abstract":"<div><p><i>Acinetobacter baumannii</i> has become a notable “superbug” due to its rapid development of resistance to multiple classes of antibiotics. This study aimed to evaluate the antibacterial and antibiofilm effectiveness of gentamicin-loaded solid lipid nanoparticles (GM-SLNs) in treating infections caused by <i>A. baumannii</i>. Nanoparticles were synthesized using the double melt emulsion dispersion method. <i>A. baumannii</i> was isolated from wounds, blood, urine, and sputum through standard microbiological techniques. Antimicrobial susceptibility was tested using the Kirby-Bauer disk diffusion method. The biofilm-forming ability of <i>A. baumannii</i> isolates, the antibacterial activity of GM-SLNs, and the time killing assay were conducted following standard protocols with slight modifications. The impact of GM-SLNs on the expression of biofilm-related genes was analyzed using real-time PCR. A total of 37 <i>A. baumannii</i> strains were isolated from 41 clinical specimens. The most common antibiotic resistances were against gentamicin (GM), ciprofloxacin (CIP), ceftazidime (CAZ), and imipenem (IMP). 80% of the <i>A. baumannii</i> isolates were classified as multidrug-resistant (MDR). GM-SLNs reduced the minimum inhibitory concentrations (MICs) for all <i>A. baumannii</i> strains twofold, fourfold, and even up to eightfold compared to free GM. GM-SLNs were also significantly more effective than free GM in inhibiting biofilm formation in all <i>A. baumannii</i> isolates. Furthermore, the expression of the <i>bap</i> gene was significantly lower in all isolates treated with GM-SLNs compared to those treated with free GM. Overall, GM-SLNs represent a major breakthrough in the fight against <i>A. baumannii</i> and other biofilm-related infections, providing hope for more effective treatment options amid the growing challenge of antimicrobial resistance.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01626-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145197566","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}

{"title":"Green extraction of poplar type propolis: ultrasonic extraction parameters and optimization via response surface methodology","authors":"Milena Popova,&nbsp;Boryana Trusheva,&nbsp;Ralitsa Chimshirova,&nbsp;Hristo Petkov,&nbsp;Vassya Bankova","doi":"10.1186/s13065-025-01522-1","DOIUrl":"10.1186/s13065-025-01522-1","url":null,"abstract":"<div><p>Optimizing the extraction of natural products is an important step to obtain products rich in bioactive compounds with less energy use and costs. The aim of this study was to optimize the ultrasonic extraction process of poplar type propolis with natural deep eutectic solvent (NADES) citric acid:1,2-propanediol 1:4 (CAPD 1:4). Based on preliminary experiments, the extraction parameters solvent to solid ratio, temperature, and time were found to have a strong positive effect on the extraction of phenolic compounds, and they were further optimized by response surface methodology (RSM) via the Box-Behnken design (BBD). Solvent to solid ratio of 30 mL/g, ultrasonication time of 39 min and temperature of 65 °C were determined as optimum conditions for the highest values of total phenolic content (TPC, 290.35 mg/g), total flavones and flavonols content (TFC, 89.48 mg/g) and radical scavenging activity (31.89%RSA). The optimized extract was analyzed by gas chromatography-mass spectrometry (GC-MS) and a high relative content of valuable propolis constituents was found such as pinocembrin, 3-acetylpinobanksin, chrysin, galangin and phenethyl caffeate (CAPE). The results provide knowledge about optimal conditions for the development of a greener extract of poplar type propolis rich in valuable bioactive compounds with potential application in cosmetic, nutraceutical and pharmaceutical industries.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01522-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145197579","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}

{"title":"Efficient and sustainable fixation of CO2 into 2-oxazolidinones utilizing ionic liquid functionalized SiO2 nanocomposites","authors":"Yulin Hu,&nbsp;Shiyao Lin,&nbsp;Xiaobing Liu","doi":"10.1186/s13065-025-01627-7","DOIUrl":"10.1186/s13065-025-01627-7","url":null,"abstract":"<div><p>Chemical fixation of CO₂ into 2-oxazolidinones is of significance because of the important application in the chemical synthesis. In this study, a series of ionic liquid functionalized SiO₂ nanocomposites were synthesized and developed as heterogeneous catalysts for the CO₂ cyclization reaction. The resulting SiO₂-MILZrCl₅ behaved as high-efficiency heterogeneous catalyst for solvent-additive-free CO₂ cyclization at 70 °C and 0.1 MPa CO₂. A high yield of 93% with selectivity of 99.4% over 5-methyl-3-phenyloxazolidin-2-one was attained. Furthermore, a wide range of epoxides were transformed with high yields and excellent selectivities under atmospheric pressure. Additionally, SiO₂-MILZrCl₅ could serve as a durable and recoverable heterogeneous catalyst for the reaction, which could be used for five cycles without significant loss of catalytic activity. This study offers novel insights for the development of green catalysts for the efficient CO₂ fixation.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01627-7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145197616","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}

{"title":"Discovery of novel FABP1 inhibitors for the treatment of metabolic dysfunction-associated steatohepatitis and hepatic fibrosis","authors":"Zongtao Zhou,&nbsp;Zhonghui Luo,&nbsp;Xudong Lv,&nbsp;Lianru Chen,&nbsp;Zhihong Qin,&nbsp;Qi Ma,&nbsp;Zheng Li,&nbsp;Deyang Kong","doi":"10.1186/s13065-025-01630-y","DOIUrl":"10.1186/s13065-025-01630-y","url":null,"abstract":"<div><p>The fatty acid-binding protein 1 (FABP1) has drawn increasing attention as a promising target for the treatment of metabolic dysfunction-associated steatohepatitis (MASH). However, efforts to validate pharmacological effects of FABP1 are restricted by the lack of relevant inhibitors. Herein, we identified the lead compound <b>1</b> with potent inhibition on FABP1 through screening from our in-house library. Further comprehensive structure-activity relationship (SAR) study based on compound <b>1</b> resulted in the identification of the optimal compound <b>12</b> (IC₅₀ = 3.6 µM). Moreover, compound <b>12</b> exerted stronger efficacy on reducing hepatic lipid accumulation, inflammation and fibrosis than that of clinical candidate GFT505 in MASH models. In addition, compound <b>12</b> significantly inhibited fibrosis-related gene expression in TGF-β treated hepatic stellate cells and exerted stronger effects than Pirfenidone in CCl₄-induced liver fibrosis mice model. These results indicated that compound <b>12</b> may serve as a novel FABP1 inhibitor for the treatment of MASH and liver fibrosis.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01630-y","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145197658","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}