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Development of novel strategies against the threats of drug-resistant Escherichia coli: an in silico and in vitro investigation.
IF 2.6 4区 生物学
3 Biotech Pub Date : 2025-04-01 Epub Date: 2025-03-06 DOI: 10.1007/s13205-025-04246-0
Alakesh Maity, Awantika Das, Ritwik Roy, Moumita Malik, Sharmistha Das, Payel Paul, Ranojit Kumar Sarker, Sarita Sarkar, Anirban Dasgupta, Poulomi Chakraborty, Prosun Tribedi
{"title":"Development of novel strategies against the threats of drug-resistant <i>Escherichia coli</i>: an in silico and in vitro investigation.","authors":"Alakesh Maity, Awantika Das, Ritwik Roy, Moumita Malik, Sharmistha Das, Payel Paul, Ranojit Kumar Sarker, Sarita Sarkar, Anirban Dasgupta, Poulomi Chakraborty, Prosun Tribedi","doi":"10.1007/s13205-025-04246-0","DOIUrl":"10.1007/s13205-025-04246-0","url":null,"abstract":"<p><p><i>Escherichia coli</i> (<i>E. coli</i>) biofilms pose alarming threats in healthcare due to their invulnerability to drug therapy. Stand-alone therapies of antimicrobial compounds/antibiotics are not particularly effective against those resistant strains. However, combination therapy of compounds could be used to deal with such threats. Towards this direction, the natural compound cuminaldehyde was employed in combination with the aminoglycoside antibiotic tobramycin to target the biofilm-forming multidrug-resistant (MDR) clinical strains of <i>E. coli</i>, which were isolated from urine samples of patient's at Suraksha Diagnostic Private Limited (Kolkata, India). At first, an integrated in silico approach (PASS online, Swiss ADME, PROTOX 3.0, and OSIRIS) was explored to predict the potential biological activities, and other relevant pharmacokinetic parameters of cuminaldehyde and tobramycin. The in silico analysis suggested that tobramycin might not be bioavailable orally due to its molecular size, polarity, and poor GI absorption. However, cuminaldehyde was well absorbed in the GI but could cause irritation if swallowed in LD50 amounts. Further, in vitro assessments were performed to analyse the antimicrobial and antibiofilm activity of both compounds, alone and in combination, against clinical strains of <i>E. coli</i>. The results suggested that cuminaldehyde and tobramycin together could show an additive effect against the clinical strains of <i>E. coli</i>. The combination of the compounds showed a substantial decrease in minimum inhibitory concentration (MIC) and biofilm formation compared to individual application. The present study indicates that combinatorial application involving cuminaldehyde and tobramycin could inhibit the formation of biofilms in <i>E. coli</i>, potentially aiding in the management of microbial infections.</p><p><strong>Supplementary information: </strong>The online version contains supplementary material available at 10.1007/s13205-025-04246-0.</p>","PeriodicalId":7067,"journal":{"name":"3 Biotech","volume":"15 4","pages":"77"},"PeriodicalIF":2.6,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11885756/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143584272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Transcriptome analyses reveal key genes related to pod dehiscence of adzuki bean (Vigna angularis L.).
IF 2.6 4区 生物学
3 Biotech Pub Date : 2025-04-01 Epub Date: 2025-03-09 DOI: 10.1007/s13205-025-04255-z
Donghao Wang, Siyu Zuo, Ying Zhang, Pu Zhao, Gulinuer Tuoheti, Bo Zhao, Ping Wan, Liwei Chu, Kai Yang
{"title":"Transcriptome analyses reveal key genes related to pod dehiscence of adzuki bean (<i>Vigna angularis L.</i>).","authors":"Donghao Wang, Siyu Zuo, Ying Zhang, Pu Zhao, Gulinuer Tuoheti, Bo Zhao, Ping Wan, Liwei Chu, Kai Yang","doi":"10.1007/s13205-025-04255-z","DOIUrl":"10.1007/s13205-025-04255-z","url":null,"abstract":"<p><p>To investigate the mechanism of pod dehiscence in adzuki bean, RNA sequencing was utilized to analyze transcriptomes in the ventral and dorsal sutures of pods from two dehiscence-resistant accessions and two dehiscence-susceptible accessions. A total of 943 differentially expressed genes (DEGs) were identified. Through the Gene Ontology (GO) and the Kyoto Encyclopedia of Genes and Genomes (KEGG) metabolic enrichment pathways, 34 genes related to pod dehiscence were identified. The genes associated with pod dehiscence primarily encode enzymes involved in cell wall modification, including pectin esterase, cellulose synthase, glucosyltransferase, glycoside hydrolase, D-galactosidase, peroxidases, and transcription factors from the MADS-box gene family. The genes exhibit significant enrichment in pathways such as \"Pentose and glucuronate interconversions,\" \"Galactose metabolism,\" \"Fructose and mannose metabolism,\" \"Starch and sucrose metabolism,\" and \"Biosynthesis of secondary metabolites.\" These components primarily play a role in modifying the cell wall, regulating the biochemistry of cells in the dehiscence zone of the pod, and influencing the physiological and metabolic processes of the ventral and dorsal sutures of the pod. This study examined transcript level variations between adzuki bean varieties resistant and susceptible to pod dehiscence, specifically focusing on the ventral and dorsal sutures. The findings offer novel perspectives for elucidating the pod dehiscence regulatory network in adzuki bean and provide valuable genetic resources to guide pod dehiscence-resistant breeding in adzuki bean.</p><p><strong>Supplementary information: </strong>The online version contains supplementary material available at 10.1007/s13205-025-04255-z.</p>","PeriodicalId":7067,"journal":{"name":"3 Biotech","volume":"15 4","pages":"80"},"PeriodicalIF":2.6,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11891120/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143603339","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Identification and evaluation of core microsatellite panel for fingerprinting in oil palm.
IF 2.6 4区 生物学
3 Biotech Pub Date : 2025-04-01 Epub Date: 2025-03-14 DOI: 10.1007/s13205-025-04262-0
B Kalyana Babu, K Suresh, G Ravichandran, P Anitha, R K Mathur, M V B Venu, Narayana Ruthwek, B Susanthi, M Mahesh
{"title":"Identification and evaluation of core microsatellite panel for fingerprinting in oil palm.","authors":"B Kalyana Babu, K Suresh, G Ravichandran, P Anitha, R K Mathur, M V B Venu, Narayana Ruthwek, B Susanthi, M Mahesh","doi":"10.1007/s13205-025-04262-0","DOIUrl":"https://doi.org/10.1007/s13205-025-04262-0","url":null,"abstract":"<p><p>The aim of the present study was to identify the core microsatellite panel from different genetic backgrounds of oil palm (Indian and African countries) and validate it in progenies from different crosses. Molecular characterization of 311 African germplasm and 4 germplasm blocks consisting of 420 palms including 120 exotic germplasm was performed using 500 simple sequence repeats (SSRs). The polymorphism parameters such as polymorphism information content (PIC), allelic richness, gene diversity (<i>He</i>), and heterozygosity (<i>Ho</i>) were used to develop the core SSR panel of 30 loci. High PIC was observed in the exotic germplasm (0.91) followed by African germplasm (0.84). High polymorphism was observed in germplasm block 7, with a mean PIC of 0.62, 0.64 for gene diversity (<i>He</i>) and 0.41 for heterozygosity (<i>Ho</i>), followed by higher PIC (0.50) in African germplasm and higher gene diversity (0.61) in germplasm block 3. High allele number (10) was observed with African germplasm followed by the germplasm block 7 (8). Based on the polymorphism parameters, the 150 SSRs were further reduced to 30 microsatellites distributed across all 16 chromosomes of the oil palm, designated as core microsatellite panel. This was validated on four crosses and two self-crosses. The clustering patterns resulting from the 150 SSR panel and the core SSR panel were similar in all 6 crosses, indicating that the developed SSR panel is sufficient to identify true-to-type, finger printing and for identifying illegitimate palms.</p><p><strong>Supplementary information: </strong>The online version contains supplementary material available at 10.1007/s13205-025-04262-0.</p>","PeriodicalId":7067,"journal":{"name":"3 Biotech","volume":"15 4","pages":"89"},"PeriodicalIF":2.6,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11908995/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143646665","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Astaxanthin: a nature's versatile compound utilized for diverse applications and its therapeutic effects.
IF 2.6 4区 生物学
3 Biotech Pub Date : 2025-04-01 Epub Date: 2025-03-14 DOI: 10.1007/s13205-025-04241-5
Anjali Bharti, Vinita Hooda, Utkarsh Jain, Nidhi Chauhan
{"title":"Astaxanthin: a nature's versatile compound utilized for diverse applications and its therapeutic effects.","authors":"Anjali Bharti, Vinita Hooda, Utkarsh Jain, Nidhi Chauhan","doi":"10.1007/s13205-025-04241-5","DOIUrl":"https://doi.org/10.1007/s13205-025-04241-5","url":null,"abstract":"<p><p>Astaxanthin (ASTX), red-colored xanthophyll, also known as the \"king of carotenoids\" exhibits a strong antioxidant property that can be naturally found in green algae <i>Haematococcus pluvialis,</i> red yeast <i>Phaffia rhodozyma</i>, and various aquatic species including salmon, krill, trout, and fish eggs. Due to their strong antioxidant qualities, ASTX nanoparticles may be crucial in fighting against phytotoxicity caused by heavy metal ions. Similarly, it may also reduce the uptake of heavy metal, i.e. cadmium, and translocation by improving the morpho-physiological profiles of plants. Furthermore, it can also have the ability to scavenge free radicals, therefore, it can protect plants from reactive oxygen species (ROS). Implementing ASTX nanoparticles on crops can also help to achieve higher food production while minimizing toxic effects. Additionally, it can also possess several therapeutic activities including anti-cancerous, anti-diabetic, antioxidant, anti-aging, anti-inflammation, hepatoprotective, and cardiovascular, etc. that can be beneficial to treat various types of diseases in humans and animals. Recently, it has gained more interest in food, agriculture, aquaculture, neutraceuticals, and pharmaceutical industries due to its wide range of applications including food-coloring agents, food supplements, and strong antioxidant property that helps in skin protection, and boosts immune function. However, ASTX possesses poor water solubility and chemical stability so the implementation of ASTX on human health is facing various issues. Therefore, nanoencapsulation of ASTX is very crucial to improve its chemical stability and solubility, ultimately leading to its bioavailability and bioaccessibility. Recently, ASTX has been commercially available with specific dosages in the market mainly in the form of tablets, gels, powders, creams, syrups, etc. The current review mainly highlights the present state of ASTX nanoparticle applications in various fields explaining its natural and synthetic sources, extraction methods, chemical structure, stability, nanoformulations, nano encapsulation, and various commercial aspects.</p>","PeriodicalId":7067,"journal":{"name":"3 Biotech","volume":"15 4","pages":"88"},"PeriodicalIF":2.6,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11909355/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143646732","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Genomic and functional insights into the diversity of Capsicum annuum defensin gene family.
IF 2.6 4区 生物学
3 Biotech Pub Date : 2025-04-01 Epub Date: 2025-03-24 DOI: 10.1007/s13205-025-04256-y
Javed A Mulla, Parag S Palod, Srushti A Bhagwat, Abhilasha P Sonawane, Supriya K Acharya, Abhijeet P Kulkarni, Vaijayanti A Tamhane
{"title":"Genomic and functional insights into the diversity of <i>Capsicum annuum</i> defensin gene family.","authors":"Javed A Mulla, Parag S Palod, Srushti A Bhagwat, Abhilasha P Sonawane, Supriya K Acharya, Abhijeet P Kulkarni, Vaijayanti A Tamhane","doi":"10.1007/s13205-025-04256-y","DOIUrl":"10.1007/s13205-025-04256-y","url":null,"abstract":"<p><p>Plant defensins are known for their diverse functional roles in development and stress tolerance. We explored the structural and functional diversity of the defensin gene family in C<i>apsicum annuum</i> (CanDef) genomes (CM334 and UCD10Xv1.1). A total of 63 unique full-length <i>CanDef</i> genes were identified through BLASTn and BLASTp analysis. The CanDefs possessed ~ 46 to 88 amino acids and categorized into four groups based on their length, presence of C-terminal tail and gamma-core region. Their phylogenetic analysis with other plant and invertebrate defensin proteins resulted in seven clades of which 37 CanDefs aligned in the recently diversified clade. Most <i>CanDefs</i> localized to chromosome-7. CanDefs contained functional motifs like gamma thionin, knot domain or scorpion toxin domain. Cis-elements and miRNA target sites related to phytohormone signaling, stress responses and development were enriched in the upstream of <i>CanDefs</i> and indicated diverse biological functions. In silico RNA-seq analysis revealed unique expression of <i>CanDefs</i> in tissues under different stresses. <i>CanDefs</i> varied their gene expression in stress conditions significantly with <i>CanDef20</i>, <i>CanDef45</i> and <i>CanDef61</i> being the most prominently expressed. In choice assay, <i>Helicoverpa armigera</i> larvae were attracted towards <i>Nicotiana tabacum</i> leaves expressing CanDefs, whereas their growth reduced in the no-choice assay. In conclusion, the genomic, molecular and functional insights on CanDef diversity highlight their significance in plant development and response to biotic/abiotic stresses.</p><p><strong>Supplementary information: </strong>The online version contains supplementary material available at 10.1007/s13205-025-04256-y.</p>","PeriodicalId":7067,"journal":{"name":"3 Biotech","volume":"15 4","pages":"99"},"PeriodicalIF":2.6,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11933556/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143717718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Elite genotype selection through antioxidant and antimicrobial activities, in vitro multiplication with meta-Topolin, genetic fidelity assessment via SCoT markers and cytological study, and chemo-profiling of selected elite genotype of Solanum sisymbriifolium Lam.: an underutilized alternative for nutrition and medicine.
IF 2.6 4区 生物学
3 Biotech Pub Date : 2025-04-01 Epub Date: 2025-03-06 DOI: 10.1007/s13205-025-04229-1
Diptesh Biswas, Avijit Chakraborty, Suproteem Mukherjee, Biswajit Ghosh
{"title":"Elite genotype selection through antioxidant and antimicrobial activities, in vitro multiplication with <i>meta</i>-Topolin, genetic fidelity assessment via SCoT markers and cytological study, and chemo-profiling of selected elite genotype of <i>Solanum sisymbriifolium</i> Lam.: an underutilized alternative for nutrition and medicine.","authors":"Diptesh Biswas, Avijit Chakraborty, Suproteem Mukherjee, Biswajit Ghosh","doi":"10.1007/s13205-025-04229-1","DOIUrl":"10.1007/s13205-025-04229-1","url":null,"abstract":"<p><p>Nowadays, the increasing world population and antibiotic resistance have become globally concerning issues. <i>Solanum sisymbriifolium</i> Lam. is an underexploited plant with multipurpose therapeutic and culinary uses and can be utilized as an alternative source of food and medicine. In this study, an elite genotype selection program of <i>S. sisymbriifolium</i> (SS) has been conducted with ten different collections from five agro-geochemical regions of West Bengal, India, based on the antioxidant properties and antimicrobial activity against multi-drug-resistant (MDR) clinical isolates. The SS 5 genotype has shown the best antioxidant activity in DPPH (299.09 μg/ml), ABTS (140.84 μg/ml), and FRAP (10.63 mg ascorbic acid equivalent/g DW) assays and simultaneously performed best against the MDR pathogenic bacteria, producing maximum zone of inhibition (19.67 ± 0.33 mm) against <i>Morganella morganii</i>. Therefore, the SS 5 genotype was chosen as elite type, and mass propagated in in vitro condition. Best shoot multiplication (14.06 ± 0.11) was observed in MS media containing 0.2 mg/l thidiazuron and 0.2 mg/l <i>meta-</i>Topolin. The ex vitro established plants were found to be cytogenetically stable with mother plant following assessment using start codon targeted (SCoT) markers and cytological study (2<i>n</i> = 24). The ex vitro plants were also analyzed for seven different phenolic acids (03.30-121.75 µg/g DW) and four vitamin B (04.38-22.29 mg/100 g FW) contents and found to be phytochemically stable with mother plant as well. Thus, this study validates the pharmacological and nutritional importance of this underutilized species <i>S. sisymbriifolium</i>, and the plant can be commercially exploited using the reproducible protocols provided in this study.</p>","PeriodicalId":7067,"journal":{"name":"3 Biotech","volume":"15 4","pages":"75"},"PeriodicalIF":2.6,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11885203/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143584273","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Targeting the interplay between human papillomavirus oncoproteins and hedgehog signaling: assessment of chemopreventive potential of carvacrol in cervical cancer.
IF 2.6 4区 生物学
3 Biotech Pub Date : 2025-04-01 Epub Date: 2025-03-05 DOI: 10.1007/s13205-025-04250-4
Afza Ahmad, Rohit Kumar Tiwari, Irfan Ahmad Ansari
{"title":"Targeting the interplay between human papillomavirus oncoproteins and hedgehog signaling: assessment of chemopreventive potential of carvacrol in cervical cancer.","authors":"Afza Ahmad, Rohit Kumar Tiwari, Irfan Ahmad Ansari","doi":"10.1007/s13205-025-04250-4","DOIUrl":"10.1007/s13205-025-04250-4","url":null,"abstract":"<p><p>Cervical carcinoma is the fourth most frequently diagnosed cancer and is a serious cause of increased mortality among females globally. Hedgehog/GLI signaling has now been established to play a pivotal role in imparting tumor recurrence and promoting metastasis in cervical carcinoma. HPV associated oncoproteins particularly E6/E7 concomitantly with altered signaling pathways are key determinants of cervical cancer. Nevertheless, the nexus between HPV oncogenes and Hedgehog/GLI signaling till date remains unclear. In this study, we investigated the anticancer and apoptotic potential of carvacrol against cervical cancer cells in vitro by targeting the plausible nexus between HPV oncoproteins and Hedgehog signaling. The findings from cell proliferation, LDH cytotoxicity, and morphology analysis suggested that carvacrol treatment significantly decreased the number of viable CaSki cells in a concentration and time-related manner. Morphological trademarks of cell death, including fragmentation of CaSki cell nucleus were studied by DAPI/PI and Hoechst33342 staining. The cytotoxicity of carvacrol was mediated through apoptosis, as confirmed by the Annexin V/FITC assay and caspase activation. Cell cycle analysis showed that carvacrol exerted significant impeding effects on the proliferation of CaSki cells via G<sub>0</sub>/G<sub>1</sub> arrest. Intriguingly, carvacrol mediated the downregulation of HPV E6 and E7 oncogenes indicated its plausible role as an anti-HPV agent against HPV16<sup>+</sup> CaSki cells. Additionally, carvacrol further restored p53 expression implicating that carvacrol may protect E6 mediated p53 protein degradation in CaSki cells. Thus, carvacrol exhibited strong antiproliferative potential by inducing apoptosis in cervical carcinoma cells via mediating the crosstalk between the downregulation of HPV oncogenes and inhibition of the hedgehog signaling pathway.</p>","PeriodicalId":7067,"journal":{"name":"3 Biotech","volume":"15 4","pages":"73"},"PeriodicalIF":2.6,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11883063/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143584290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improving the thermostability and substrate affinity of IsPETase through the S209H mutation, and exploring the structural role of the N-terminal: a computational study.
IF 2.6 4区 生物学
3 Biotech Pub Date : 2025-04-01 Epub Date: 2025-03-19 DOI: 10.1007/s13205-025-04258-w
Nima Ghahremani Nezhad, Sunusi Bataiya Buhari, Azadeh Eskandari, Samah Hashim Albayati, Oluwaloni Folusho Omotayo, Thean Chor Leow
{"title":"Improving the thermostability and substrate affinity of <i>Is</i>PETase through the S209H mutation, and exploring the structural role of the N-terminal: a computational study.","authors":"Nima Ghahremani Nezhad, Sunusi Bataiya Buhari, Azadeh Eskandari, Samah Hashim Albayati, Oluwaloni Folusho Omotayo, Thean Chor Leow","doi":"10.1007/s13205-025-04258-w","DOIUrl":"10.1007/s13205-025-04258-w","url":null,"abstract":"<p><p>The current in silico investigation aimed to increase the thermostability of <i>Is</i>PETase for more efficient PET degradation. N-Truncated and S209H mutants were designed to improve the thermostability of <i>Is</i>PETase. The deletion of the first seven N-terminal residues in PETase (N-truncated mutant) disrupts structural integrity, as Arg5, a crucial residue, maintains stability by forming a hydrogen bond network with Pro2, Thr48, Lys230, and Arg238. This links the N-terminal to the C-terminal, while its absence increases RMSF values in this region. The S209H mutation, located in the catalytic loop of <i>Is</i>PETase, enhances thermostability by introducing a new hydrophobic interaction with residue W130. MD simulations at 353.15 K have demonstrated this improvement, showing reduced structural flexibility and compactness in the S209H mutant compared to the WT. Specifically, the overall RMSD, Cα RMSD, SASA, and Rg values decreased from 3.36249 ± 0.853 Å, 1.321843 ± 0.0953 Å, 10,057.73 ± 135.11 Å<sup>2</sup>, and 17.09687 ± 1.387 Å in the WT to 3.184878 ± 0.786 Å, 0.969998 ± 0.119 Å, 9894.527 ± 118.53 Å<sup>2</sup>, and 16.962 ± 1.265 Å in the S209H mutant, respectively. Molecular docking revealed binding energies of -4.9 kcal/mol for WT, -5.1 kcal/mol for the S209H mutant, and -4.8 kcal/mol for the N-truncated mutant. MM-PBSA analysis using YASARA showed that the S209H mutation increased binding energy from -17.3606 kJ/mol (WT) to -7.82077 kJ/mol, enhancing binding affinity, while the N-truncated mutant reduced binding energy to -23.5032 kJ/mol, lowering binding affinity. In conclusion, this study has demonstrated that the S209H mutation enhanced the thermostability and the PET affinity of <i>Is</i>PETase by introducing the hydrophobic interactions. The N-truncated mutant reduced both thermostability and PET affinity, highlighting the critical role of the N-terminal region in maintaining the stability and activity of <i>Is</i>PETase.</p>","PeriodicalId":7067,"journal":{"name":"3 Biotech","volume":"15 4","pages":"93"},"PeriodicalIF":2.6,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11923339/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143690735","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploring the therapeutic potential of oleanolic acid and its derivatives in cancer treatment: a comprehensive review.
IF 2.6 4区 生物学
3 Biotech Pub Date : 2025-03-01 Epub Date: 2025-02-07 DOI: 10.1007/s13205-025-04209-5
Rachel Savio D'Mello, Vividh Mendon, Padmini Pai, Ipshita Das, Babitha Kampa Sundara
{"title":"Exploring the therapeutic potential of oleanolic acid and its derivatives in cancer treatment: a comprehensive review.","authors":"Rachel Savio D'Mello, Vividh Mendon, Padmini Pai, Ipshita Das, Babitha Kampa Sundara","doi":"10.1007/s13205-025-04209-5","DOIUrl":"10.1007/s13205-025-04209-5","url":null,"abstract":"<p><p>Oleanolic acid (OA) is a triterpenoid that occurs naturally and may be isolated from various plants. Analogs of oleanolic acid can be produced artificially or naturally. The current treatments have limited selectivity and may also impact normal cells. OA and its derivatives provide a promising cancer treatment platform with greater selectivity and less toxic effects. As a result of their enhanced sensitivity, selectivity, and low toxicity, they are great options for focusing on particular biological pathways and reducing the growth of tumor cells. The effects of OA and derivatives of OA on various cancer types have been investigated. However, breast and hepatocellular malignancies are the most studied cancers. In breast cancer, derivatives such as saikosaponin A (SSa), saikosaponin B (SSb), and SZC014 influence key pathways such as the Janus kinase/signal transducer and activator of transcription (JAK/STAT), protein kinase-B (Akt), and nuclear factor-kappa B (NF-κB) pathways, inhibiting metastasis, angiogenesis, and cell migration, respectively. When a para-aminobenzoic acid (PABA)/nitric oxide (NO) derivative of OA is administered to HepG2 cells, the reactive oxygen species (ROS)/mitogen-activated protein kinase (MAPK)-mediated mitochondrial pathway causes apoptosis. Nanoformulations incorporating OA, such as OA-paclitaxel (PTX), show potential for suppressing tumor progression by inhibiting drug efflux mechanisms. Thus, exploring the interactions of OA and a few of its derivatives with various cellular pathways offers a promising approach to combating different types of cancer. This review delves into the potential of oleanolic acid and its derivatives in retarding cancer progression through their interactions with diverse cellular pathways.</p>","PeriodicalId":7067,"journal":{"name":"3 Biotech","volume":"15 3","pages":"56"},"PeriodicalIF":2.6,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11803024/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143381321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biotransformation of baicalin and glycyrrhizic acid using immobilized Fe3O4@Chitosan@β-glucuronidase.
IF 2.6 4区 生物学
3 Biotech Pub Date : 2025-03-01 Epub Date: 2025-02-15 DOI: 10.1007/s13205-025-04220-w
Yue Zhao, Weiqiang Zhou, Ping Wang, Yumei Li, Pengfei Gu, Juan Gao
{"title":"Biotransformation of baicalin and glycyrrhizic acid using immobilized Fe<sub>3</sub>O<sub>4</sub>@Chitosan@β-glucuronidase.","authors":"Yue Zhao, Weiqiang Zhou, Ping Wang, Yumei Li, Pengfei Gu, Juan Gao","doi":"10.1007/s13205-025-04220-w","DOIUrl":"10.1007/s13205-025-04220-w","url":null,"abstract":"<p><p>β-Glucuronidase can hydrolyze β-glucuronic acid-containing glycosides, such as baicalin and glycyrrhizic acid. In this study, the β-glucuronidase gene from <i>Lactobacillus rhamnosus</i> was cloned and expressed in <i>Escherichia coli</i>. The resulting recombinant protein, designated LrhGUS, exhibited a molecular weight of approximately 72 kDa. The hydrolysis pathway of glycyrrhizic acid by recombinant LrhGUS proceeded as follows: glycyrrhizic acid → glycyrrhetinic acid monoglucuronide (GMAG) → glycyrrhetinic acid (GA), achieving a conversion rate of 90.38% with 2 mg/ml glycyrrhizic acid. Additionally, LrhGUS hydrolyzed baicalin into baicalein with a conversion rate of 94.64% using 20 mg/ml baicalin. Magnetic chitosan microspheres were utilized as carriers for immobilizing recombinant LrhGUS. Response surface methodology was employed to optimize immobilization conditions, which were determined to be a glutaraldehyde concentration of 1%, an enzyme loading of 0.8 mg/g bead, and a crosslinking temperature of 25 °C. The optimal temperature and pH for the immobilized enzyme were identical to those of the free enzyme; however, the immobilized enzyme demonstrated superior stability compared to the free enzyme. Notably, under acidic conditions, the pH stability of immobilized LrhGUS was significantly higher than that of the free enzyme. After incubation at 80 °C for 12 h, the thermal stability of the immobilized enzyme improved by approximately 50% relative to the free enzyme. Moreover, the immobilized LrhGUS exhibited excellent reusability, maintaining approximately 30% enzyme activity after seven cycles. Using the immobilized enzyme, baicalein was successfully prepared on a 1 g scale, while GAMG and GA were prepared on a 100 mg scale. These findings provide a robust foundation for the potential industrial application of β-glucuronidase.</p><p><strong>Supplementary information: </strong>The online version contains supplementary material available at 10.1007/s13205-025-04220-w.</p>","PeriodicalId":7067,"journal":{"name":"3 Biotech","volume":"15 3","pages":"63"},"PeriodicalIF":2.6,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11829881/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143439367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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