{"title":"A Comprehensive Review of Exopolysaccharides From Lactic Acid Bacteria: Production, Characterization, and Applications in Food and Health.","authors":"Hafsa Arshad, Rao Mubashar Ali, Shahgull, Sahar Fazal, Aqsa Qasim Zafar, Laiba Mahmood, Mishal, Muhammad Shoaib","doi":"10.1002/bab.70206","DOIUrl":"https://doi.org/10.1002/bab.70206","url":null,"abstract":"<p><p>Lactic acid bacteria (LAB) produce exopolysaccharides (EPSs), which are beneficial in food and health applications because of their varied structural and functional characteristics. These EPSs are attracting a lot of interest. Homopolysaccharides (HoPSs) and heteropolysaccharides (HePSs) are two types of LAB-derived EPS that differ in their monosaccharide compositions and physicochemical properties. These biopolymers are produced through processes, such as extracellular synthesis and Wzx/Wzy-dependent mechanisms, which are controlled by environmental and genetic variables like pH, temperature, fermentation duration, and carbon-to-nitrogen ratios. In dairy products, like yogurt and cheese, EPS improves texture, moisture retention, and shelf life by acting as natural thickeners, stabilizers, and emulsifiers. They are also perfect for clean-label formulations due to their biocompatibility and biodegradability. In addition to its use in food, EPS has anticancer, antioxidant, immunomodulatory, cholesterol-lowering, and antidiabetic benefits. They alter gut microbiota, enhance intestinal health, and interact with immunological receptors (such as toll-like receptors [TLRs]). Furthermore, EPS exhibits promise in medicinal applications like biofilm inhibition, wound healing, and drug delivery systems. Large-scale applications are restricted by issues including low yield and high manufacturing costs, notwithstanding their potential. To overcome these obstacles, developments in genetic engineering and fermentation optimization are essential. The biosynthesis, structural variety, and multifunctional roles of LAB-EPS in food innovation and health promotion are highlighted in this review, which also highlights future research areas to increase their industrial and therapeutic value.</p>","PeriodicalId":9274,"journal":{"name":"Biotechnology and applied biochemistry","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148879082","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Network Pharmacology and Molecular Docking to Elucidate the Anti-Dermatitic Mechanism of Phytocompounds in Thespesia populnea Flowers.","authors":"Poongodi Thangavel, Kandavelmani Angamuthu, Gayathri Devi Sundaramurthy","doi":"10.1002/bab.70203","DOIUrl":"https://doi.org/10.1002/bab.70203","url":null,"abstract":"<p><p>Atopic dermatitis (AD) is a multifactorial inflammatory skin disease characterized by chronic inflammation, immune dysregulation, and compromised skin barrier function. Thespesia populnea is found to be a rich source of polyphenols and flavonoids and it provides various therapeutic applications in dermatology. The pharmacological action of phytocompounds present in the flower part of Thespesia populnea in treating the skin inflammation is largely unknown. In the present study, we have employed a network pharmacology and molecular docking approach to explore the therapeutic potential of Thespesia populnea in treating AD and to understand the molecular mechanism of action of phytocompounds present in the flower part of Thespesia populnea. The phytochemical data of Thespesia populnea were extracted from the IMPPAT database, which includes 16 phytocompounds: gossypol, kaempferol, quercetin, lupenone, lupeol, quercetin-3-glucoside, beta-sitosterol, etc. Based on the SEA database search, 226 targets were identified to have binding affinity with the phytocompounds present in Thespesia populnea flowers. A total of 1538 AD-associated targets were retrieved and out of which 71 were identified to be ligand-associated AD targets and were further used for network construction. The AD network revealed the multi-targeted mechanism of phytocompounds present in Thespesia populnea against AD targets responsible for its anti-dermatitic activity. The top 15 potential protein targets in the network were found to be AKT1, NFKB1, MMP9, STAT3, EGFR, BCL2, PPARG, ESR1, MMP2, IL2, TLR2, GSK3B, KDR, CREB1, and ALOX5. Based on virtual screening and SwissADME prediction, eight docking complexes with high binding affinity and favorable pharmacokinetic properties were selected for AutoDock analysis. Among the selected docking complexes, beta-sitosterol and glycogen synthase kinase-3 beta (GSK3B) complex were found to possess the maximum binding energy of -8.3 kcal/mol with interacting amino acids GLU B:290, PRO A:212, PRO B:286, and TYR B:288. Other potent interactions that signify the anti-dermatitic potential of Thespesia populnea include kaempferol-GSK3B, lupeol-GSK3B, beta-sitosterol-GSK3B, herbacetin-ALOX5, gossypetin-ALOX5, quercetin-ALOX5, lupenone-ALOX5, and lupeol-ALOX5. The GSK3B complex and arachidonate 5-lipoxygenase were found to be the key anti-dermatitic targets for the phytocompounds present in Thespesia populnea flowers. The network pharmacological study revealed the mechanism of action of the phytocompounds present in Thespesia populnea flowers against potential dermatitis targets and molecular docking analysis highlighted the potent interactions responsible for its anti-dermatitic property. The present study offers valuable insights into the anti-dermatitic property of Thespesia populnea flowers (Supporting information).</p>","PeriodicalId":9274,"journal":{"name":"Biotechnology and applied biochemistry","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2026-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148879114","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis and Analysis of Biochemical and Pharmaceutical Properties of Polysialylated Recombinant Streptokinase Enzyme.","authors":"Hamid Shahbazmohammadi, Eskandar Omidinia","doi":"10.1002/bab.70194","DOIUrl":"https://doi.org/10.1002/bab.70194","url":null,"abstract":"<p><p>Streptokinase (SK) is an enzyme drug and is used in medicine for dissolving clots in conditions such as heart attacks, lung artery emboli, vein thrombosis, and occlusions of arteries. Despite the impressive use of SK, its immunogenicity and short half-life are major challenges that limit its efficacy in clinical settings. In this communication, we studied the polysialylation of SK with the aim of improving the pharmacokinetics of this thrombolytic drug. Recombinant SK was covalently conjugated to polysialic acid (PSA; also referred to as colominic acid [CA]) via reductive amination. Native and polysialylated variants were compared in terms of structural properties, enzyme kinetics, stability, immunization, and biological half-life. The best molecular weight of PSA, optimum molar ratio, incubation time, and temperature for the conjugation reaction were determined to be 10.0 kDa, 200:1, 24 h, and 25°C, respectively. The exact molecular weight of SK-10.0 kDa PSA was determined to be 56.5 kDa by MALDI-TOF mass spectrometry, which matches the calculated value by SDS-PAGE. The intrinsic fluorescence intensity of polysialylated SK increased compared to the native version, meaning that the stability of SK was increased by immobilization on the PSA polymer. K<sub>m</sub> of polysialylated SK was slightly higher than that of native SK, which showed that the attached PSA molecules to the enzyme did not significantly reduce the substrate specificity. Polysialylated SK elicited nearly 63.0% lower antibody production compared to the native variant. Native and polysialylated SKs exhibited plasma half-lives of 0.5 and 2.21 h, respectively, implying that the modified variant has a 4.42-fold longer residence time in the body. Briefly, comparative studies with native and PSA-conjugated enzymes show that polysialylation can be useful in enhancing the therapeutic efficacy of SK. It is worth emphasizing that this is the first report describing the use of polysialylation technology to improve the pharmaceutical properties of SK.</p>","PeriodicalId":9274,"journal":{"name":"Biotechnology and applied biochemistry","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2026-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148863233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yue Wang, TianJie Han, YanXiang Bao, JinFeng Wei, HaiChao Feng, ZhengFu Zhou, Min Lin
{"title":"Construction of Engineered Escherichia coli for Vanillin Production From Glucose: Pathway Module Optimization and Methyl-Donor Regulation.","authors":"Yue Wang, TianJie Han, YanXiang Bao, JinFeng Wei, HaiChao Feng, ZhengFu Zhou, Min Lin","doi":"10.1002/bab.70201","DOIUrl":"https://doi.org/10.1002/bab.70201","url":null,"abstract":"<p><p>Vanillin is an important flavor compound widely used in the food, fragrance, and pharmaceutical industries. Current biotransformation processes from ferulic acid or eugenol are limited by high substrate cost and low carbon efficiency, motivating de novo biosynthesis from glucose. This study employed Escherichia coli as the chassis organism to establish a modular vanillin biosynthesis system based on the phenylpropanoid metabolic pathway. Heterologous expression of sam8, sam5, and comt established a biosynthetic module for the sequential conversion of l-tyrosine to p-coumaric acid, then to caffeic acid, and finally to ferulic acid. This module enabled the production of 15.86 mg/L ferulic acid from glucose. Two ferulic acid-to-vanillin modules were compared: a CoA-dependent deacetylation pathway (fcs/ech) and an oxidative decarboxylation pathway (fdc/cso2). With ferulic acid feeding, the deacetylation route produced 445.78 mg/L vanillin, far exceeding the 3.49 mg/L obtained via oxidative decarboxylation. When integrated with the upstream module, the deacetylation pathway enabled de novo vanillin production from glucose at 4.46 mg/L, whereas the oxidative decarboxylation route yielded only 0.46 mg/L, indicating better performance of the former under the tested conditions. Metabolite profiling indicated accumulation of caffeic acid and limited ferulic acid levels, identifying O-methylation and S-adenosyl-L-methionine (SAM) supply as major bottlenecks. Implementation of SAM regeneration modules revealed that mtn overexpression enhanced the vanillin titer by about 3-fold, to 12.36 mg/L, while luxS overexpression had a negligible effect. In summary, this study establishes a functional de novo phenylpropanoid pathway for vanillin in E. coli, underscores the critical role of terminal‑pathway selection, and demonstrates that SAM regeneration effectively improves vanillin production from glucose.</p>","PeriodicalId":9274,"journal":{"name":"Biotechnology and applied biochemistry","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148817579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Filipe S Buarque, Ariane G Santos, Bernardo D Ribeiro, Matheus M Pereira, Mara G Freire, Maria Alice Z Coelho
{"title":"Ionic Liquid Toxicity in Biotechnological Yeasts: Experimental Assessment and Molecular Docking Insights.","authors":"Filipe S Buarque, Ariane G Santos, Bernardo D Ribeiro, Matheus M Pereira, Mara G Freire, Maria Alice Z Coelho","doi":"10.1002/bab.70204","DOIUrl":"https://doi.org/10.1002/bab.70204","url":null,"abstract":"<p><p>Ionic liquids (ILs) are promising media for biotechnological applications, although their use in microbial systems is limited by their toxicity to living cells and biomacromolecules. In this study, the toxicity profiles of selected IL-derived ions were evaluated toward Saccharomyces cerevisiae, Yarrowia lipolytica, and Kluyveromyces marxianus by determining the maximum non-toxic concentration (MNTC), and the experimental trends were further investigated through molecular docking against the corresponding yeast hexokinases. The results revealed a species-dependent response, with Y. lipolytica displaying substantially higher tolerance than K. marxianus and S. cerevisiae. For the anionic series, toxicity increased consistently from Cl<sup>-</sup> to [NTf<sub>2</sub>]<sup>-</sup> in the three yeasts, with [NTf<sub>2</sub>]<sup>-</sup> showing the lowest MNTC values in all cases. The cationic series also showed clear differences in toxicity, though in a more species-dependent manner. Docking analyses revealed a strong qualitative relationship between binding affinity and MNTC, particularly for the anions, indicating that ions with more favourable interactions with hexokinase were generally tolerated only at lower concentrations. Thus, the results indicate that IL toxicity in yeasts emerges from the interplay between ion-specific properties and species-dependent structural features of the target enzyme. By integrating microbiological and computational analyses, this study provides new insight into the molecular basis of ion-dependent and species-dependent IL toxicity in yeasts of biotechnological relevance.</p>","PeriodicalId":9274,"journal":{"name":"Biotechnology and applied biochemistry","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2026-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148812049","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dharmesh A Patel, Apurva S Prajapati, Siddharth S Patel, Ranjitsinh C Dabhi, Dushyant D Kotadiya, Hitesh D Patel
{"title":"Discovery of Potent CDK2 Inhibitors Through Structure-Based Virtual Screening and MD Simulation Studies.","authors":"Dharmesh A Patel, Apurva S Prajapati, Siddharth S Patel, Ranjitsinh C Dabhi, Dushyant D Kotadiya, Hitesh D Patel","doi":"10.1002/bab.70202","DOIUrl":"https://doi.org/10.1002/bab.70202","url":null,"abstract":"<p><p>Cyclin-dependent kinase 2 (CDK2) is a crucial regulator of the cell cycle and a promising target for cancer treatment. In this study, five known inhibitors were used to create a receptor-based pharmacophore model that includes an aromatic ring, hydrogen bond donors and acceptors, a negatively charged group, and a hydrophobic region. This model screened the Asinex database and found 1881 hits. Molecular docking narrowed the selection to the 10 best candidates (MD1-MD10), with MD1-MD5 showing strong binding affinities, with docking scores between -11.66 and -10.56 kcal/mol. These five compounds were further tested using ADME/T profiling, DFT calculations, and 100 ns molecular dynamics simulations. Principal component analysis (PCA) and free energy landscape (FEL) evaluations further confirmed stable conformational behavior across the MD simulation trajectories. The HOMO-LUMO gaps suggested stable electronic properties, and the MD simulations confirmed complex stability, with RMSD and RMSF values ranging from 2.0 to 2.8 Å. Overall, MD1-MD5 demonstrated excellent binding, structural stability, and pharmacokinetic properties, making them strong candidates for future CDK2-targeted anticancer research.</p>","PeriodicalId":9274,"journal":{"name":"Biotechnology and applied biochemistry","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2026-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148788542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Gustavo Marques Serra, Matheus Silva da Fonseca Diniz, Evonnildo Costa Gonçalves, Agenor Valadares Santos, Luciana Pereira Xavier
{"title":"Biochemical Studies and Production Optimization of β-Glucosidase From Microcystis aeruginosa CACIAM 03 Using Organic Waste.","authors":"Gustavo Marques Serra, Matheus Silva da Fonseca Diniz, Evonnildo Costa Gonçalves, Agenor Valadares Santos, Luciana Pereira Xavier","doi":"10.1002/bab.70200","DOIUrl":"https://doi.org/10.1002/bab.70200","url":null,"abstract":"<p><p>Global warming and industrial pollutants pose significant threats to environmental sustainability. In response, enzymes have emerged as promising tools for mitigating pollution. Enzymatic hydrolysis is considered environmentally sustainable due to its biological nature. In Brazil, the estimated agro-industrial waste production is an abundant source of lignocellulosic biomass, which contains cellulose, hemicellulose, and lignin. Its effective degradation requires a synergistic cocktail of enzymes, including cellulases, hemicellulases, and lignin-degrading enzymes. Within this system, β-glucosidases play a key role as a limiting factor in cellulose conversion, acting synergistically with other enzymes but being inhibited by glucose. This study aimed to produce and characterize β-glucosidases from the crude extract of the cyanobacterium Microcystis aeruginosa CACIAM 03. Enzyme production occurred after 10 days of incubation. The crude enzymatic extract exhibited optimal activity at pH 4.5 and 40°C (28.51 U/mL), high thermostability at 50°C (60% activity retained after 480 min), and tolerance to methanol (∼15% loss). The presence of Zn<sup>2+</sup>, Cl<sup>2+</sup>, and Mn<sup>2+</sup> increased enzymatic activity by 2-3×. Using 300 µg of total protein from the crude enzymatic extract, the enzyme demonstrated high affinity for cellobiose, with <math><msub><mi>K</mi> <msub><mi>M</mi> <mi>app</mi></msub> </msub> </math> of 0.156 ± 0.02 mM and <math><msub><mi>V</mi> <mrow><mi>ma</mi> <msub><mi>x</mi> <mi>app</mi></msub> </mrow> </msub> </math> of 0.246 ± 0.01 µM/min. These results reinforce the promising enzymatic potential of M. aeruginosa strains isolated from the Amazon region for sustainable biotechnological applications.</p>","PeriodicalId":9274,"journal":{"name":"Biotechnology and applied biochemistry","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2026-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148788591","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Clara Matte Borges Machado, Luciana Porto de Souza Vandenberghe, Ariane Fátima Murawski de Mello, Gustavo Amaro Bittencourt, Alexandra M Rozhkova, Ivan N Zorov, Susan Grace Karp, Vittoria Gomes Michelin, Carlos Ricardo Soccol
{"title":"Second-Generation Polyhydroxybutyrate Production From Pretreated Corn Lignocellulosic Fraction as a Strategy to Repurpose by Products From the Corn-Processing Chain.","authors":"Clara Matte Borges Machado, Luciana Porto de Souza Vandenberghe, Ariane Fátima Murawski de Mello, Gustavo Amaro Bittencourt, Alexandra M Rozhkova, Ivan N Zorov, Susan Grace Karp, Vittoria Gomes Michelin, Carlos Ricardo Soccol","doi":"10.1002/bab.70197","DOIUrl":"https://doi.org/10.1002/bab.70197","url":null,"abstract":"<p><p>Lignocellulosic residues are non-cost, non-edible, renewable feedstocks that can be used in polyhydroxybutyrate (PHB) production. PHB is a bioplastic synthetized by microorganisms, formed intracellularly under stressful growth conditions; however, its production costs are high, representing the major drawback for fossil-based plastics replacement. The use of lignocellulosic waste in PHB production can help to reduce its costs. Therefore, this work aimed to optimize the second-generation (2G) PHB production process from the lignocellulosic corn fraction (LCF). The LCF is a lignocellulosic by-product generated during first-generation (1G) PHB production from milled corn (Zea mays). A novel integrated citric acid pretreatment followed by enzymatic hydrolysis in just one-pot was employed. Two cellulolytic enzymes from a highly productive strain were employed at an enzyme loading of 11.64 mg β-glucosidase/g substrate and 0.6 mg cellulase/g substrate. These enzymes concentrations were employed in a hydrolysis assay in an agitated tank, reaching 47.37 g/L of total sugars (95.71% of glucose). This hydrolysate was employed as a low-cost carbon source for 2G PHB production by Cupriavidus necator LPB2327. In the optimized condition, 8.90 g/L of dry cell weight (DCW), and 7.64 g PHB/L (85.89% PHB accumulation) were achieved. Overall, high product yields of 0.254 g PHB/g substrate, and 0.127 g PHB/g LCF were obtained. These results indicate the feasibility of using this integrated approach for 2G PHB production within a corn biorefinery strategy.</p>","PeriodicalId":9274,"journal":{"name":"Biotechnology and applied biochemistry","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2026-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148788624","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Şeref Karadeniz, Ahmad Badreddin Musatat, Beste Karadeniz, Yeşim Kaya, Mustafa Oğuzhan Kaya, Oğuzhan Özdemir, Halil İbrahim Uğraş, Ümit Çakir
{"title":"Development of Coumarin-Sulfonamide Derivatives as Versatile Polyphenol Oxidase Inhibitors With Favorable Physicochemical and Pharmacokinetic Profiles.","authors":"Şeref Karadeniz, Ahmad Badreddin Musatat, Beste Karadeniz, Yeşim Kaya, Mustafa Oğuzhan Kaya, Oğuzhan Özdemir, Halil İbrahim Uğraş, Ümit Çakir","doi":"10.1002/bab.70198","DOIUrl":"https://doi.org/10.1002/bab.70198","url":null,"abstract":"<p><p>Enzymatic browning mediated by polyphenol oxidase (PPO) remains a persistent challenge in food preservation. We report the rational design, synthesis, and evaluation of nine coumarin-sulfonamide hybrid inhibitors (DS1-9) featuring 6,7-dihydroxy-2-oxo-2H-chromen-4-yl cores linked to N-substituted benzenesulfonamide scaffolds, confirmed by FT-IR and <sup>1</sup>H-NMR. Enzyme kinetics against Agaricus bisporus tyrosinase revealed competitive inhibition across the series, with K<sub>i</sub> values spanning 46-775 uM. DFT calculations (B3LYP/def2-TZVP) characterized the electronic landscape, HOMO-LUMO energies (-5.716 to -6.455 eV; -1.716 to -2.278 eV), electrophilicity indices (3.5-4.2 eV), and dipole moments (4.98-11.24 Debye), while C-PCM solvation modeling, MEP mapping, and RDG analysis established that intramolecular hydrogen bonding (sign λ<sub>2</sub>ρ ≈ -0.025 to -0.035 a.u.) preorganizes binding-competent conformations. Molecular docking against PPO3 (PDB: 2Y9X) yielded binding affinities of -7.66 to -8.99 kcal/mol, substantially exceeding tropolone (-4.65 kcal/mol). DS-7 (N-3,4-dimethylisoxazol-5-yl) emerged as the lead compound (IC<sub>50</sub> = 103 ± 5.64 µM; K<sub>i</sub> = 46 uM), its potency driven by hydrogen bonding with Glu322, His85, and Asn260 alongside π-sigma/π-anion contacts. DS-1 (N-thiazol-2-yl; IC<sub>50</sub> = 99.7 ± 0.91 µM; K<sub>i</sub> = 57 uM) achieved comparable inhibition through a distinctive π-sulfur interaction with His85 and copper coordination. DS-6 (N-ethyl-N-phenyl; IC<sub>50</sub> = 90.3 ± 4.86 µM; K<sub>i</sub> = 129 uM) outperformed docking predictions via apparent induced-fit binding involving dual copper π-alkyl coordination. SAR analysis identified the 6,7-dihydroxycoumarin core, Val283 π-sigma anchoring, and lipophilic N-substitution as non-negotiable pharmacophoric elements, positioning DS-7, DS-1, and DS-6 for food preservation and biocatalytic applications.</p>","PeriodicalId":9274,"journal":{"name":"Biotechnology and applied biochemistry","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148757369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Extracellular Polysaccharide From Marine Streptomyces sp. KAR3: Structural Characterization, Antibacterial, and Anticancer Potential.","authors":"Karthick Kumar S B, Rajkumar Prabhakaran, Rajkumar Manickam, Karthikeyan Mahendran, Ramkumar Muthu, Deenathayalan Uvarajan, Akilandeswari Periyasamy","doi":"10.1002/bab.70192","DOIUrl":"https://doi.org/10.1002/bab.70192","url":null,"abstract":"<p><p>Marine environments are an abundant source of sustainable polymers with considerable biomedical potential. In this study, a marine Streptomyces sp. strain KAR3 was isolated from the Gulf of Mannar. Extracellular polysaccharide (EPS) was isolated, characterized, and evaluated for its antibacterial, antibiofilm, and anticancer activity against MDA-MB-231 cells. Strain identification using biochemical characterization and 16S rRNA gene sequencing (Accession: PP330035) showed 100% similarity to Streptomyces geysiriensis, and phylogenetic analysis supported its affiliation with the S. geysiriensis clad. S. geysiriensis strain KAR3 produced 4.4 g/L of EPS in the media after 7 days. EPS production was optimized in several culture media and structurally characterized by UV spectroscopy, Fourier transform infrared (FTIR), <sup>1</sup>H and <sup>13</sup>C nuclear magnetic resonance (NMR), and GC-MS. FTIR analysis revealed C-H and C = O stretching and glycosidic linkages. <sup>1</sup>H and <sup>13</sup>C NMR shifts aligned with sugar moieties, indicating the EPS is a complex polysaccharide. GC-MS showed glucose as the major monosaccharide in the EPS. The isolated EPS exhibited dose-dependent inhibition, with the largest zone of inhibition observed at 100 µg/mL. The EPS exhibited notable antibacterial and biofilm inhibitory activity against Staphylococcus aureus, Klebsiella pneumoniae, Escherichia coli, and Enterococcus faecalis in a concentration-dependent manner. The minimum inhibitory concentration (MIC) calculated for the most susceptible strains was at 100 µg/mL. The IC<sub>50</sub> value of EPS was found to be 25.44 µg/mL, indicating a strong cytotoxic effect against MDA-MB-231 cancer cells. Together, these findings demonstrate the broad-spectrum antibacterial and anticancer activity of marine EPS from S. geysiriensis and its potential as a natural source in the search for new antimicrobial compounds.</p>","PeriodicalId":9274,"journal":{"name":"Biotechnology and applied biochemistry","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2026-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148700834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}