Process Biochemistry最新文献

Purification, characterization, and toxicity of antioxidative peptides from ultrasonicated chickpea (Cicer arietinum L.) protein hydrolysate 超声鹰嘴豆（Cicer arietinum L.）蛋白水解物中抗氧化肽的纯化、表征和毒性研究

IF 3.7 3区生物学

Process Biochemistry Pub Date : 2025-04-29 DOI: 10.1016/j.procbio.2025.04.026

Deia Tawalbeh , Fisal Ahmad , Shantanu Sengupta , Muhammad Hussin Alu’datt , Wan Amir Nizam Wan Ahmad , Mannur Ismail Shaik , Nanda Kumar Yellapu , Norizah Mhd Sarbon

{"title":"Purification, characterization, and toxicity of antioxidative peptides from ultrasonicated chickpea (Cicer arietinum L.) protein hydrolysate","authors":"Deia Tawalbeh , Fisal Ahmad , Shantanu Sengupta , Muhammad Hussin Alu’datt , Wan Amir Nizam Wan Ahmad , Mannur Ismail Shaik , Nanda Kumar Yellapu , Norizah Mhd Sarbon","doi":"10.1016/j.procbio.2025.04.026","DOIUrl":"10.1016/j.procbio.2025.04.026","url":null,"abstract":"<div><div>This study aimed to assess the purification, characterization and toxicity of antioxidative peptides from ultrasonicated chickpea protein hydrolysate (UCPH) by enzymatic hydrolysis. The UCPH was purified sequentially using ultrafiltration and fast protein liquid chromatography (FPLC). The < 3 kDa fraction (UCPH-1) from ultrafiltration was further purified using FPLC after demonstrating strong lipid-peroxidation inhibition activity (ferric thiocyanate (FTC): 49.54 % and thiobarbituric acid reactive species (TBARS): 55.42 %). The F6 fraction from FPLC was found to be an F6 peptide (UCPH-1-F6) with an amino acid sequence of MLRVYLR, which demonstrated a greater lipid-peroxidation inhibitory activity (FTC: 55.62 % and TBARS: 62.20 %). The UCPH-1-F6 peptide also showed potent antioxidant properties. In addition, the molecular docking studies showed that the MLRVYLR exhibited hydrogen-bonds interaction with 1,1-diphenyl-2-picrylhydrazyl (DPPH) by CDOKER. The MLRVYLR showed no toxicity properties to the brine shrimp lethality, which indicates it is a safe peptide. These results suggest that the purified peptide derived from ultrasound chickpea protein hydrolysate has potential antioxidant properties and can be used in functional food, nutraceuticals, and the pharmaceutical industry.</div></div>","PeriodicalId":20811,"journal":{"name":"Process Biochemistry","volume":"154 ","pages":"Pages 220-233"},"PeriodicalIF":3.7,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143892276","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A comprehensive review of large-scale extraction and purification of food-derived bioactive phenolic components 食品源性生物活性酚类成分大规模提取纯化技术综述

IF 3.7 3区生物学

Process Biochemistry Pub Date : 2025-04-29 DOI: 10.1016/j.procbio.2025.04.027

Eman Shawky , Lutfun Nahar , Sarah M. Nassief , Satyajit D. Sarker , Reham S. Ibrahim

{"title":"A comprehensive review of large-scale extraction and purification of food-derived bioactive phenolic components","authors":"Eman Shawky , Lutfun Nahar , Sarah M. Nassief , Satyajit D. Sarker , Reham S. Ibrahim","doi":"10.1016/j.procbio.2025.04.027","DOIUrl":"10.1016/j.procbio.2025.04.027","url":null,"abstract":"<div><div>As the market for functional foods and nutraceuticals grows, traditional extraction methods often fall short of meeting large-scale production needs. This review analyzes recent advancements in large-scale extraction and purification methods for phenolic compounds, addressing the industrial demand for high-quality phenolic-rich products. It explores innovative technologies such as ultrasound-assisted extraction, microwave-assisted extraction, and pressurized liquid extraction. The challenges of scaling these technologies from laboratory to industrial scale are discussed, including maintaining bioactivity, optimizing process parameters, and ensuring cost-effectiveness. The review also covers advanced purification techniques like membrane filtration, adsorption processes, and advanced chromatographic methods. Additionally, the review highlights the environmental and economic aspects of large-scale phenolic extraction, emphasizing sustainable practices, such as eco-friendly solvents and waste valorization. It provides insights into the latest trends in process design and optimization, including computational modeling and process intensification strategies. Finally, the review identifies key areas for future research and development.</div></div>","PeriodicalId":20811,"journal":{"name":"Process Biochemistry","volume":"154 ","pages":"Pages 196-219"},"PeriodicalIF":3.7,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143892277","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Sustainable pectin extraction: Navigating industrial challenges and opportunities with fruit by-products – A review 可持续果胶提取：导航工业挑战和机遇与水果副产品-综述

IF 3.7 3区生物学

Process Biochemistry Pub Date : 2025-04-28 DOI: 10.1016/j.procbio.2025.04.025

Durga Gomathi Arumuganainar , Deepa Lakshmi Ramesh , Prakash Pandurangan , Swetha Sunkar , Stanley Abraham , Antony V. Samrot , Ravi Sainandhini , A. Thirumurugan , Meivelu Moovendhan

{"title":"Sustainable pectin extraction: Navigating industrial challenges and opportunities with fruit by-products – A review","authors":"Durga Gomathi Arumuganainar , Deepa Lakshmi Ramesh , Prakash Pandurangan , Swetha Sunkar , Stanley Abraham , Antony V. Samrot , Ravi Sainandhini , A. Thirumurugan , Meivelu Moovendhan","doi":"10.1016/j.procbio.2025.04.025","DOIUrl":"10.1016/j.procbio.2025.04.025","url":null,"abstract":"<div><div>Fruit by-products from the food processing sector are produced in large quantities and have great potential as sustainable sources of pectin, a bioactive polysaccharide used extensively in the food, pharmaceutical and nutraceutical industries. With a focus on sustainability, this paper investigates the various uses, characterisation and extraction of pectin derived from fruit waste. These processes include traditional acid-based extraction methods, as well as emerging technologies such as microwave-assisted and enzyme-aided approaches. Critical obstacles to scaling up the pectin extraction process, including feedstock availability, financial concerns, and quality variances, are also covered in the review. Using unconventional extraction techniques is highlighted as a viable option to increase pectin production while lessening environmental effects. Insights into pectin's functional qualities, such as its gelling, thickening, and emulsifying capabilities, further demonstrate its versatility in industrial applications. Despite the challenges of industrial-scale implementation, transforming fruit by-products into pectin offers a viable strategy for waste reduction and the creation of valuable commodities. This assessment promotes a circular economy in the fruit processing industry by supporting efficient extraction methods and creative solutions to industrial problems.</div></div>","PeriodicalId":20811,"journal":{"name":"Process Biochemistry","volume":"154 ","pages":"Pages 234-245"},"PeriodicalIF":3.7,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143911742","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ginkgo leaf derived amphiphilic and biocompatible carbon dots for sterilization and MRSA biofilm destruction 银杏叶衍生的两亲性和生物相容性碳点用于杀菌和MRSA生物膜破坏

IF 3.7 3区生物学

Process Biochemistry Pub Date : 2025-04-27 DOI: 10.1016/j.procbio.2025.04.023

Peili Li , Gan Zhao , Long Meng , Jumen Wei , Junhua Chen , Yunhe Xu , Da Zhang , Xiang Ke , Zirong Li

{"title":"Ginkgo leaf derived amphiphilic and biocompatible carbon dots for sterilization and MRSA biofilm destruction","authors":"Peili Li , Gan Zhao , Long Meng , Jumen Wei , Junhua Chen , Yunhe Xu , Da Zhang , Xiang Ke , Zirong Li","doi":"10.1016/j.procbio.2025.04.023","DOIUrl":"10.1016/j.procbio.2025.04.023","url":null,"abstract":"<div><div>Multidrug-resistant (MDR) bacterial infections, typified by methicillin-resistant <em>Staphylococcus aureus</em> (MRSA), have become a severe global challenge to healthcare systems. In response, antibacterial carbon dots (CDs) have attracted growing interest in the fight against MRSA. In this study, nitrogen self-doped ginkgo leaf (GL) carbon dots (GLCDs) were synthesized through a facile one-step solvothermal method combined with extraction technology. The prepared GLCDs are spherical nanoparticles with a crystalline structure and carry a positive charge of + 7.62 mV. The minimum inhibitory concentration (MIC) of GLCDs against MRSA was found to be 250 μg/mL. Notably, at a concentration of 750 μg/mL, GLCDs could completely eliminate 1 × 10<sup>6</sup> MRSA within 240 minutes and effectively suppress MRSA biofilm formation in a dose-dependent manner. The antimicrobial mechanisms involve electrostatic interaction enabling penetration into MRSA, disruption of the cell structure leading to intracellular component leakage, induction of oxidative stress, and inhibition of antioxidant enzymes and respiratory function. Moreover, GLCDs demonstrated excellent biocompatibility in hemolysis and <em>in vitro</em> cytotoxicity tests. This research presents a novel natural-plant-based antimicrobial nanomaterial, providing valuable insights into the rational utilization of natural biomass to combat MRSA infections.</div></div>","PeriodicalId":20811,"journal":{"name":"Process Biochemistry","volume":"154 ","pages":"Pages 172-183"},"PeriodicalIF":3.7,"publicationDate":"2025-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887302","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Sterilized and raw tequila vinasse as a medium for ethanol production via S. cerevisiae and K. marxianus: Estimation and comparison of its kinetic parameters 以酿酒酵母和马氏酵母生产乙醇为培养基的灭菌生龙舌兰酒asse：动力学参数的估计和比较

IF 3.7 3区生物学

Process Biochemistry Pub Date : 2025-04-25 DOI: 10.1016/j.procbio.2025.04.019

Juan Alberto Regalado-Aguirre , Fernando López-Caamal , Héctor Hernández-Escoto , María Cristina Del Rincón-Castro , Juan Antonio Ramírez-Vázquez , Glenda Edith Cea-Barcia

{"title":"Sterilized and raw tequila vinasse as a medium for ethanol production via S. cerevisiae and K. marxianus: Estimation and comparison of its kinetic parameters","authors":"Juan Alberto Regalado-Aguirre , Fernando López-Caamal , Héctor Hernández-Escoto , María Cristina Del Rincón-Castro , Juan Antonio Ramírez-Vázquez , Glenda Edith Cea-Barcia","doi":"10.1016/j.procbio.2025.04.019","DOIUrl":"10.1016/j.procbio.2025.04.019","url":null,"abstract":"<div><div>Tequila production generates vinasse as wastewater that may be valorized to produce ethanol. To assess vinasse’s value as a source of biofuel in circular bioeconomy, culture media were formulated with sterilized and raw vinasse using glucose as model substrate and two conventional yeasts, for comparison. One of them is <em>S. cerevisiae,</em> and the other strain, <em>K. marxianus,</em> was isolated from a tequila vinasse. In sterilized vinasse, results suggest that both yeasts activate secondary metabolic pathways as stress response to inhibitory compounds and salt, being <em>S. cerevisiae</em> the strain that showed better ethanol production (1.3 g L<sup>−1</sup> h<sup>−1</sup>). However, such a remark is opposite when <em>K. marxianus</em> was subjected to ALE strategy to improve its tolerance to vinasse’s stressors. Adapted <em>K. marxianus</em> enhanced its ethanol production (1.2 g L<sup>−1</sup> h<sup>−1</sup>) as compared to <em>S. cerevisiae</em> (1.1 g L<sup>−1</sup> h<sup>−1</sup>) in raw vinasse. To quantify how media and strains affect ethanol production, a dynamic mathematical model was formulated, and its parameter values were fitted for each scenario. A comparison of such values shows that ALE strategy adequates the reaction rate to the media, agreeing with experimental data. Both the maximum reaction rate and the half velocity constant increased after ALE, when considering a Monod reaction rate; thus, leading to a quicker reaction and to a reaction rate that saturates at larger substrate concentrations. In turn, the parameters values with both yeasts are similar to each other. These results confirm that tequila vinasse medium is suitable for ethanol production.</div></div>","PeriodicalId":20811,"journal":{"name":"Process Biochemistry","volume":"154 ","pages":"Pages 119-128"},"PeriodicalIF":3.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In situ insertion of one or two types of hydroxy-rich noncanonical amino acids into one protein 将一种或两种富含羟基的非规范氨基酸原位插入到一个蛋白质中

IF 3.7 3区生物学

Process Biochemistry Pub Date : 2025-04-25 DOI: 10.1016/j.procbio.2025.04.022

Xuanhe Fan , Yumei Liu , Zhenya Chen

{"title":"In situ insertion of one or two types of hydroxy-rich noncanonical amino acids into one protein","authors":"Xuanhe Fan , Yumei Liu , Zhenya Chen","doi":"10.1016/j.procbio.2025.04.022","DOIUrl":"10.1016/j.procbio.2025.04.022","url":null,"abstract":"<div><div>Noncanonical amino acids (ncAAs) possess unique properties owing to their distinct functional groups. The predominant method for inserting ncAAs into proteins is genetic code expansion, which mimics the natural translation process and requires exogenous ncAAs supplementation. However, microbial cells often lack specific transporters for ncAAs uptake across the cell membrane and do not recognise them as essential nutrients, leading to limited insertion efficiency. To address these challenges, we developed an <em>in situ</em> insertion method to enhance ncAAs insertion efficiency and explored the feasibility of co-inserting two types of ncAAs into a single protein. Initially, orthogonal translation systems specific to the hydroxy-rich ncAAs 5-hydroxytryptophan (5-HTP) and 4-hydroxyisoleucine (4-HiL) were constructed and introduced into microbial cells. Subsequently, the biosynthetic pathways for 5-HTP and 4-HiL were engineered in <em>Escherichia coli</em>, which harboured the corresponding orthogonal translation systems. Furthermore, a co-insertion strategy was developed based on the dual use of UGA and UAG codons. <em>In situ</em> co-insertion of 5-HTP and 4-HiL into one protein was achieved by introducing biosynthetic pathways and orthogonal translation systems for 5-HTP and 4-HiL into the same microbial cell. These findings establish a robust framework for the precise and scalable insertion of ncAAs in advanced protein design.</div></div>","PeriodicalId":20811,"journal":{"name":"Process Biochemistry","volume":"154 ","pages":"Pages 129-142"},"PeriodicalIF":3.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883138","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Study on the antibacterial activity and mechanism of prodigiosin against Methicillin-resistant Staphylococcus aureus: Insights from metabolomic and transcriptomic analyses 对耐甲氧西林金黄色葡萄球菌的抑菌活性及机制研究：代谢组学和转录组学分析的见解

IF 3.7 3区生物学

Process Biochemistry Pub Date : 2025-04-25 DOI: 10.1016/j.procbio.2025.04.021

Xin Wang, Zongyu Zhang, Jiacheng Zhao, Xinying Liu, Jinghua Wang, Zongyong Lv, Qianxi Song, Dongliang Hua, Guangfan Meng, Jie Zhang, Jing Zhang

{"title":"Study on the antibacterial activity and mechanism of prodigiosin against Methicillin-resistant Staphylococcus aureus: Insights from metabolomic and transcriptomic analyses","authors":"Xin Wang, Zongyu Zhang, Jiacheng Zhao, Xinying Liu, Jinghua Wang, Zongyong Lv, Qianxi Song, Dongliang Hua, Guangfan Meng, Jie Zhang, Jing Zhang","doi":"10.1016/j.procbio.2025.04.021","DOIUrl":"10.1016/j.procbio.2025.04.021","url":null,"abstract":"<div><div>Methicillin-Resistant <em>Staphylococcus aureus</em> (MRSA) is one of the pathogens that cause food poisoning. Prodigiosin (PG) is a kind of microbial secondary metabolites with antibacterial, anti-inflammatory, anti-tumor and other biological activities. In the present study, PG as the natural metabolite of <em>Serratia marcescens</em> was found to have the significant bacteriostatic activity against MRSA undergoing division and proliferation. It can damage cell walls, cell membranes and biofilms of MRSA, and cause leakage of proteins and nucleic acids. PG also could cause cells die due to the oxidative stress by inhibition of SOD and CAT activities. The differences of accumulation metabolites (DAMs) and expressed genes (DEGs) were mainly involved in ribosome, ABC transporters, DNA replication and repair, amino acid synthesis and metabolism, and carbohydrate metabolism according to the metabolomics and transcriptomics. In conclusion, the present study explored the bacteriostatic activity and inhibitory mechanism of PG, which will provide a research basis for PG’s development and application in food safety.</div></div>","PeriodicalId":20811,"journal":{"name":"Process Biochemistry","volume":"154 ","pages":"Pages 143-156"},"PeriodicalIF":3.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883137","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Biosorption isotherm and composition of Amido black 10B decolorizing metal and salt tolerant bacterial consortium 氨基黑10B脱色金属耐盐菌群的生物吸附等温线及组成

IF 3.7 3区生物学

Process Biochemistry Pub Date : 2025-04-24 DOI: 10.1016/j.procbio.2025.04.020

Roselin Neihsial, Waniabha J. Lyngdoh, Imtiwala, Arvind Kumar Singh

{"title":"Biosorption isotherm and composition of Amido black 10B decolorizing metal and salt tolerant bacterial consortium","authors":"Roselin Neihsial, Waniabha J. Lyngdoh, Imtiwala, Arvind Kumar Singh","doi":"10.1016/j.procbio.2025.04.020","DOIUrl":"10.1016/j.procbio.2025.04.020","url":null,"abstract":"<div><div>The biological decolorization offers an eco-friendly solution for the treatment of azo-dye effluents from various industries. This study reports the decolorization, biosorption, and community composition of Amido Black 10B (AB) degrading bacterial consortium. The consortium achieved 72–75 % decolorization of AB in 24 h at 2000 mg/L concentration under static conditions and in the presence of heavy metals, NaCl, sucrose, and alkaline pH. Exposure to metals, sucrose, salts, and AB induced intracellular proline production. The decolorized dye showed a loss of toxicity to cyanobacteria. The dried biomass of the consortium stored for four years retained the decolorization activity. 16S rRNA metagenome analysis revealed the dominance of Proteobacteria, Bacteroidetes, Firmicutes, and Actinobacteria at the phylum level. The predictive functional profile exhibited many KEGG IDs and COG categories of enzymes belonging to the xenobiotic and metabolism pathway. The dye biosorption data was best described by the Freundlich isotherm model. The calculated thermodynamic parameters ΔGº, ΔHº, and ΔSº were all estimated to be positive. This suggests that the dye adsorption process is non-spontaneous and indicates an increase in randomness at the bacterial cell surface. The result exhibits the dye detoxification and biosorption mechanism of the AB-degrading bacterial consortium.</div></div>","PeriodicalId":20811,"journal":{"name":"Process Biochemistry","volume":"155 ","pages":"Pages 60-69"},"PeriodicalIF":3.7,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143874316","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Recent progress in the design and research of cholesterol adsorption materials 胆固醇吸附材料的设计与研究进展

IF 3.7 3区生物学

Process Biochemistry Pub Date : 2025-04-24 DOI: 10.1016/j.procbio.2025.04.016

Zhihe Yang , Wen Huang , Zhangrong Tang , Tianyi Li , Jiongcheng Lu , Lili Cai , Yong-Guang Jia

引用次数: 0

Mechanism-based inhibition of aldose reductase by natural xanthones: Computational and experimental insights for diabetic complications 基于机制的天然山酮醛糖还原酶抑制：糖尿病并发症的计算和实验见解

IF 3.7 3区生物学

Process Biochemistry Pub Date : 2025-04-23 DOI: 10.1016/j.procbio.2025.04.018

Emadeldin M. Kamel , Ahmed A. Allam , Hassan A. Rudayni , Sarah I. Othman , Fahad M. Alshabrmi , Faris F. Aba Alkhayl , Al Mokhtar Lamsabhi

{"title":"Mechanism-based inhibition of aldose reductase by natural xanthones: Computational and experimental insights for diabetic complications","authors":"Emadeldin M. Kamel , Ahmed A. Allam , Hassan A. Rudayni , Sarah I. Othman , Fahad M. Alshabrmi , Faris F. Aba Alkhayl , Al Mokhtar Lamsabhi","doi":"10.1016/j.procbio.2025.04.018","DOIUrl":"10.1016/j.procbio.2025.04.018","url":null,"abstract":"<div><div>Aldose reductase (AR) plays a pivotal role in the polyol pathway and is a key therapeutic target for preventing diabetic complications. In this study, we employed a multi-disciplinary approach—combining <em>in silico</em> molecular modelling and <em>in vitro</em> enzyme assays—to identify potent AR inhibitors from six naturally occurring xanthone derivatives. Docking, Molecular dynamics simulation, and MM/PBSA calculations revealed that garcinone E, norathyriol, and smeathxanthone A demonstrated the strongest binding affinities and stable interactions with critical residues in the AR binding site. Free energy landscape analysis further highlighted their ability to stabilize AR in low-energy conformational states, reducing enzyme flexibility. ADMET profiling indicated that norathyriol, bellidifolin, and 1-hydroxy-3,5,6,7-tetramethoxyxanthone exhibit favourable pharmacokinetic properties, including high gastrointestinal absorption and compliance with Lipinski’s rule of five, whereas mangiferin displayed poor bioavailability and permeability. <em>In vitro</em> validation confirmed the potent inhibitory activity of garcinone E (IC₅₀ = 4.66 ± 0.21 µM), norathyriol (IC₅₀ = 5.75 ± 0.36 µM), and smeathxanthone A (IC₅₀ = 7.92 ± 1.12 µM), comparable to quercetin (IC₅₀ = 2.46 µM). Enzyme kinetics revealed that garcinone E and smeathxanthone A act as non-competitive inhibitors, while norathyriol shows mixed inhibition, suggesting diverse binding mechanisms that enhance their efficacy. Collectively, these xanthones represent promising oral leads for attenuating diabetic neuropathy, retinopathy, and nephropathy by modulating the polyol pathway. Future work will focus on rational structural optimisation, <em>in vivo</em> validation in diabetic models, and comprehensive pre-clinical safety profiling to progress these compounds toward clinical development.</div></div>","PeriodicalId":20811,"journal":{"name":"Process Biochemistry","volume":"154 ","pages":"Pages 99-118"},"PeriodicalIF":3.7,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143874354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0