{"title":"Computational identification of dual COX-1 and NIK inhibitors from marine microalga Chlorella vulgaris","authors":"Mahesh Samantaray , Sthitaprajna Sahoo , Durga Prasad Sahoo , Guneswar Sethi , Sarman Singh , Hak-Kyo Lee , Biswajita Pradhan , Donghyun Shin","doi":"10.1016/j.jgeb.2025.100531","DOIUrl":"10.1016/j.jgeb.2025.100531","url":null,"abstract":"<div><div>The search for safe and effective anti-inflammatory agents remains a critical area of research due to the widespread impact of chronic inflammatory diseases. Natural compounds, particularly those derived from marine sources, present a promising avenue for developing novel therapeutics. In this study, we investigated the potential of <em>Chlorella vulgaris</em>, a unicellular green alga with a rich profile of bioactive compounds, as a source of anti-inflammatory agents. Through <em>in silico</em> molecular docking and dynamics simulations, we identified compounds C8 and C4 as potent inhibitors of COX-1 and NIK, key targets in inflammatory pathways. These compounds demonstrated significantly stronger binding affinities than standard inhibitors MXM and OWC. For COX-1, C8 and C4 showed binding affinities of −8.625 and −4.359 kcal/mol, respectively, compared to −3.454 kcal/mol for MXM. Similarly, for NIK, the binding affinities were −6.798 and −3.789 kcal/mol for C8 and C4, respectively, compared to −2.628 kcal/mol for OWC. Molecular dynamics simulations further demonstrated that C8 and C4 formed stable interactions, including hydrogen bonds and hydrophobic contacts, with key residues in the active sites of COX-1 and NIK, suggesting a potential for sustained inhibitory activity. These findings highlight the therapeutic potential of <em>C. vulgaris</em> derived compounds for the treatment of inflammatory conditions. Although further in vitro and in vivo studies are necessary to fully elucidate their efficacy and safety, these results provide a promising foundation for the development of novel, naturally sourced anti-inflammatory therapies.</div></div>","PeriodicalId":53463,"journal":{"name":"Journal of Genetic Engineering and Biotechnology","volume":"23 3","pages":"Article 100531"},"PeriodicalIF":3.5,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144513573","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Maytham. A. Dragh , Zainab. S. Al-Allak , Zainab. Z. Allami
{"title":"Cloning and functional analysis of the TERE1 gene using the Gal4-UaS system in S2 cells: A streamlined approach for human gene functional genomics","authors":"Maytham. A. Dragh , Zainab. S. Al-Allak , Zainab. Z. Allami","doi":"10.1016/j.jgeb.2025.100525","DOIUrl":"10.1016/j.jgeb.2025.100525","url":null,"abstract":"<div><div>The post-genome sequencing era faces the challenge of understanding gene functions. While model organisms and mutagenesis screens are helpful, they can be labor-intensive. This study demonstrates a streamlined gene cloning approach using the human TERE1 gene and the pUAST vector system for expression in Drosophila S2 cells. The pUAST vector was employed to clone the TERE1 gene and insert it into S2 cells, allowing co-transfection with multiple constructs for co-expression of up to four proteins. This provided a stable and selectable platform. The cloning of TERE1 in PcDNA3.1 and pUAST vectors confirmed the expression of TERE1 protein alongside EGFP. The expressed TERE1 protein in Drosophila melanogaster (<em>D.m</em>) Schneider recombinants resembled the normal Drosophila HEIX1 protein, which is critical in the larval-to-adult transformation as proved by western blot. The pUAST system proved effective for TERE1 gene cloning and the simultaneous expression of multiple proteins. This simplified method presents an efficient alternative to traditional mutagenesis screens, facilitating gene function studies and aiding the identification of disease-related genes.</div></div>","PeriodicalId":53463,"journal":{"name":"Journal of Genetic Engineering and Biotechnology","volume":"23 3","pages":"Article 100525"},"PeriodicalIF":3.5,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Integrative bioinformatics and deep learning to identify common genetic pathways in Crohn’s disease and ischemic cardiomyopathy","authors":"Reza Maddah , Zahra Sadat Aghili , Fahimeh Ghanbari , Amirhossein Hajialiasgary Najafabadi , Sedigheh Asgary","doi":"10.1016/j.jgeb.2025.100529","DOIUrl":"10.1016/j.jgeb.2025.100529","url":null,"abstract":"<div><div>Crohn’s disease (CD) and ischemic cardiomyopathy (ICM) share inflammatory characteristics, yet their common genetic underpinnings remain underexplored. Using an integrative bioinformatics approach, we analyzed GEO datasets (GSE3365 and GSE9128) to identify shared genetic pathways between CD and ICM. Through differential expression analysis, we identified 60 common differentially expressed genes (CDEGs). Functional enrichment analysis revealed enrichment in inflammatory pathways, including NF-κB and TNF-α signaling, highlighting their role in disease pathogenesis. We conducted microRNA (miRNA), transcription factor (TF), and protein–protein interaction (PPI) analyses to uncover regulatory networks. Notably, hsa-miR-98-5p emerged as a key miRNA, while RELA and NFKB1 were identified as prominent TFs interacting with CDEGs. Six hub genes—IL1B, CXCL8, CXCL2, TLR2, FCGR1A, and FCGR2A—were pinpointed, demonstrating high diagnostic potential via receiver operating characteristic (ROC) analysis. To advance diagnostic precision, we developed AutoClass, a deep learning framework that leverages hub gene regulatory networks to classify CD patients with approximately 95 % accuracy. These hub genes and regulators likely drive neutrophil-mediated inflammation, offering insights into the molecular interplay between CD and ICM. Our findings suggest that the identified CDEGs, miRNAs, and TFs hold promise as therapeutic targets and biomarkers, paving the way for precision medicine approaches in managing CD and its cardiovascular complications. Future experimental validation and cohort expansion could further elucidate these shared mechanisms, enhancing their translational impact.</div></div>","PeriodicalId":53463,"journal":{"name":"Journal of Genetic Engineering and Biotechnology","volume":"23 3","pages":"Article 100529"},"PeriodicalIF":3.5,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Bao Ninh Tran , Thi Bich Ngoc Ha , Phuong Mai Bui, Hang Thuy Dam, Kim Anh To, Tuan Anh Pham, Tuan Le
{"title":"Magnesium chelation of low molecular weight peptides from protein-rich industrial wastes: Production and properties","authors":"Bao Ninh Tran , Thi Bich Ngoc Ha , Phuong Mai Bui, Hang Thuy Dam, Kim Anh To, Tuan Anh Pham, Tuan Le","doi":"10.1016/j.jgeb.2025.100528","DOIUrl":"10.1016/j.jgeb.2025.100528","url":null,"abstract":"<div><div>Magnesium chelating is considered a promising method to increase Mg uptake, thus fight against the prevalent case of Mg deficiency. In this study, hydrolysates and peptide fractions from spent brewer’s yeast (SBY) and soybean meal (SBM) were evaluated for the magnesium chelating ability. Despite the similar amino acid profile and protein concentration, SBY hydrolysate showed superior chelating yield than that of SBM. Cross flow filtration was shown to have facilitated the chelating process, with the specific chelating yield peaked at 94.44 mg/g protein for the 3 kDa peptide fraction of SBY hydrolysate. It was also demonstrated that at optimum conditions (pH 2 to 4 and Mg loaded 5 mM to 25 mM), the ≤ 3 kDa peptide fraction of SBY exhibited the highest magnesium chelating yield of more than 98 %. Physical and biochemistry properties of spray dried peptide chelate were also scrutinized. The FTIR spectra confirmed the chelating sites of peptide were amino and carboxyl groups; and the particle size distribution of Mg chelated peptides was identified in the range of 1000 nm. Our findings concerning the <em>in-vitro</em> gastrointestinal stability and cytotoxicity have confirmed the suitability of magnesium chelated SBY for animal and human consumption.</div></div>","PeriodicalId":53463,"journal":{"name":"Journal of Genetic Engineering and Biotechnology","volume":"23 3","pages":"Article 100528"},"PeriodicalIF":3.5,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144470842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Md. Nur Islam , Israt Jahan Asha , Aninda Kumar Gain , Raihanul Islam , Shipan Das Gupta , Md. Murad Hossain , Shuvo Chandra Das , Mohammed Mafizul Islam , Dhirendra Nath Barman
{"title":"Designing siRNAs against non-structural genes of all serotypes of Dengue virus using RNAi technology – A computational investigation","authors":"Md. Nur Islam , Israt Jahan Asha , Aninda Kumar Gain , Raihanul Islam , Shipan Das Gupta , Md. Murad Hossain , Shuvo Chandra Das , Mohammed Mafizul Islam , Dhirendra Nath Barman","doi":"10.1016/j.jgeb.2025.100523","DOIUrl":"10.1016/j.jgeb.2025.100523","url":null,"abstract":"<div><div>Dengue is a viral disease caused by <em>Aedes aegypti</em> and <em>Aedes albopictus</em> mosquitoes, leads to severe health complications, including dengue hemorrhagic fever (DHF) and dengue shock syndrome (DSS). The disease has intensified in Asian countries such as Bangladesh, India, Myanmar, and Thailand, with regular outbreaks since 2015, partly due to the lack of effective vaccines or treatments against this ferocious virus. Nonstructural (NS) genes of Dengue virus (DENV) are believed to play vital role in viral replication. Targeting the NS genes of existing serotypes of DENV, we aimed to design a potential small interfering RNA (siRNA) that has the capability to silence the NS genes hence, provide a ground strategy for antiviral therapeutics. In this investigation, a comprehensive computational approach encompassing data collection from NCBI database, GC content analysis, conservation prediction across all DENV serotypes, mRNA-siRNA duplex thermodynamic assessment, siRNA efficacy evaluation, molecular modeling and structural refinement, molecular docking were performed. These analyses anticipated three efficient siRNAs (S2, S3 and S11) that could have the capability to silence all the NS protein-coding genes employed by the DENV. Based on additional analysis including molecular dynamic (MD) simulation, principal component analysis (PCA) and free energy landscape (FEL), two siRNAs (S2 and S11) were recommended as potential therapeutics that could effectively degrade viral NS protein-coding genes through the RNAi pathway. However, S2 (Guide: 5′-UGUUUUUCGCCUUUUUCCGUU-3′ and Passenger: 5′- CGGAAAAAGGCGAAAAACACG-3′) molecule is supposed to be appeared the most promising siRNA compared to S11. This study is the foundational contribution enabling chemically synthesized future antiviral drug discovery for combating DENV, especially in the Asian region where frequent outbreaks are common. Nonetheless, <em>in vivo</em> validation and further evaluations are necessary before these siRNAs can be advanced as molecular therapeutics.</div></div>","PeriodicalId":53463,"journal":{"name":"Journal of Genetic Engineering and Biotechnology","volume":"23 3","pages":"Article 100523"},"PeriodicalIF":3.5,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Plant-based edible vaccines: Can cholera be the case study in Africa?","authors":"Beenzu Siamalube , Emmanuel Ehinmitan , Lupupa Kachenga , Steven Runo , Maina Ngotho , Justus Onguso","doi":"10.1016/j.jgeb.2025.100527","DOIUrl":"10.1016/j.jgeb.2025.100527","url":null,"abstract":"<div><div>Vaccines are employed as a sanitary approach that is implemented to lessen the hurdles caused by infectious diseases on the safety of public health. A vaccine is biologically made from inactive components of microbes, to enhance immunity and as a defense mechanism adverse to parasitic, bacterial and viral illnesses. Nonetheless, the mode of production that involves purification is quite costly, more so, to low and middle-income countries, especially in Africa. Conventional oral cholera vaccines, though commercially available, face logistical challenges to be transported and distributed to target populations such as Africa. Edible vaccines derived from plants, on the other hand, offer cost-effective and bio-friendly production cost, they are easily administered to all age groups and can be grown near-user-site. This article thoroughly assesses the capability of plant-based edible vaccines as an option for immunization against cholera with exclusive concentration on the African continent.</div></div>","PeriodicalId":53463,"journal":{"name":"Journal of Genetic Engineering and Biotechnology","volume":"23 3","pages":"Article 100527"},"PeriodicalIF":3.5,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144365489","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"An immunoinformatics approach in designing high-coverage mRNA multi-epitope vaccine against multivariant SARS-CoV-2","authors":"Ernawati Arifin Giri-Rachman , Al Mirahma Febri Kurnianti , Rizarullah , Aditya Hanung Setyadi , Anita Artarini , Marselina Irasonia Tan , Catur Riani , Dessy Natalia , Reza Aditama , Husna Nugrahapraja","doi":"10.1016/j.jgeb.2025.100524","DOIUrl":"10.1016/j.jgeb.2025.100524","url":null,"abstract":"<div><h3>Background</h3><div>Despite the decreasing cases, SARS-CoV-2, with its endemic status, still threatens public health, and developing a variant-proof vaccine could be a promising strategy to prevent future infection. In this study, utilizing immunoinformatics and reverse vaccinology, we aimed to develop a multi-epitope mRNA vaccine with high population coverage, targeting multiple variants of SARS-CoV-2.</div></div><div><h3>Methods</h3><div>To design a multivariant vaccine, 20,567 sequences consisting of all SARS-CoV-2′s variants of concern whole genome were retrieved. Utilizing an immunoinformatics approach, the selected antigens spike and nucleocapsid proteins were analyzed to predict linear B lymphocyte (LBL), helper T lymphocyte (HTL), and cytotoxic T lymphocyte (CTL) epitopes. These epitopes were evaluated based on antigenicity, toxicity, allergenicity, conservancy, and coverage at both global and Indonesian levels. The identified epitopes were further subjected to molecular docking analysis with MHC molecules and combined into the design of a multi-epitope vaccine. The validated 3D structure of the vaccine construct (VC) was used in molecular docking with TLR4 and BCR. The vaccine construct’s potential in eliciting immune responses was also assessed.</div></div><div><h3>Results</h3><div>The predicted epitopes demonstrated extensive population coverage, encompassing 99.99% of the global population and 99.39% of the Indonesian population, respectively. The selected epitopes consisted of four LBL, five HTL, and three CTL epitopes were combined using linkers to make a multi-epitope construct, which was antigenic, non-allergenic, 257 amino acids long, and most of the structure was coil (61.87%). Furthermore, molecular docking analysis revealed potent interactions between the validated 3D structure and the TLR4 and BCR receptors, while molecular dynamic simulations confirmed the stability of the VC-TLR4 and VC-BCR complexes. Additionally, mRNA codon optimization was performed to enhance vaccine expression efficiency, and secondary structure analysis indicated that the designed mRNA vaccine possessed a stable conformation.</div></div><div><h3>Conclusion</h3><div>As a result, an mRNA vaccine candidate was obtained with high population coverage and could induce a robust and protective immune response against multiple variants of SARS-CoV-2. Therefore, further studies are required to validate the safety and efficacy of the proposed vaccine candidate.</div></div>","PeriodicalId":53463,"journal":{"name":"Journal of Genetic Engineering and Biotechnology","volume":"23 3","pages":"Article 100524"},"PeriodicalIF":3.5,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144335755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mutaz Mohammed Abdallah , Ruaa Abdalla Ibrahim Suliman , Yousra Tagelsir Ahmed , Mawada Yahia
{"title":"In silico analysis of hypothetical proteins in Pseudomonas aeruginosa PAC1: Structural and functional insights","authors":"Mutaz Mohammed Abdallah , Ruaa Abdalla Ibrahim Suliman , Yousra Tagelsir Ahmed , Mawada Yahia","doi":"10.1016/j.jgeb.2025.100515","DOIUrl":"10.1016/j.jgeb.2025.100515","url":null,"abstract":"<div><h3>Background</h3><div>Bacterial genomes contain numerous hypothetical proteins (HPs) with uncharacterized roles. This study used computational methods to identify and predict the functions of such proteins in the <em>Pseudomonas aeruginosa</em> PAC1 strain.</div></div><div><h3>Methods</h3><div>The PAC1 genome (GenBank: CP053706.1) was analyzed, starting with 828 HPs. Proteins shorter than 50 amino acids (unlikely to form stable structures) were excluded, leaving 807 HPs. Physicochemical properties were assessed to filter unstable proteins, resulting in 272 candidates. Subcellular localization tools predicted cytoplasmic localization for 58 proteins. Functional annotation identified conserved domains, and homology modeling generated 3D structures for proteins with >80 % similarity to known templates. Structural validation and active site prediction were performed to assess biological relevance.</div></div><div><h3>Results</h3><div>Two HPs, WP_003099663.1 (186 residues) and WP_010793930.1 (455 residues), exhibited structural stability and functional potential. WP_003099663.1 was annotated as a zinc-dependent enzyme involved in carbon dioxide regulation, while WP_010793930.1 was linked to amino acid biosynthesis. Structural models confirmed stable folds, and ligand-binding site predictions highlighted conserved regions, suggesting roles in metabolic pathways.</div></div><div><h3>Conclusion</h3><div>This study demonstrates a systematic computational approach for characterizing hypothetical proteins in bacterial genomes. WP_003099663.1 and WP_010793930.1 exhibit promising structural and functional features and warrant further experimental investigation.</div></div>","PeriodicalId":53463,"journal":{"name":"Journal of Genetic Engineering and Biotechnology","volume":"23 3","pages":"Article 100515"},"PeriodicalIF":3.5,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144320963","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Linyu Zhu , Zhiyu Ye , Ling Wang , Shaomin Chen , Menger Guo , Lvya Zhang , Yuansheng Wu
{"title":"Bioinformatics and experimental approach identify DNMT3A as a diagnostic marker associated with regulated cell death patterns in psoriasis","authors":"Linyu Zhu , Zhiyu Ye , Ling Wang , Shaomin Chen , Menger Guo , Lvya Zhang , Yuansheng Wu","doi":"10.1016/j.jgeb.2025.100526","DOIUrl":"10.1016/j.jgeb.2025.100526","url":null,"abstract":"<div><div>Regulated cell death (RCD) is crucial for the advancement of psoriasis, and providing opportunities as diagnostic indicators and drug sensitivity markers for psoriasis. Nevertheless, there is a lack of exploration regarding a thorough evaluation of RCD and psoriasis. 10 transcriptome datasets from psoriasis patients were retrieved, and then RCD mRNA profile was generated consensus cluster. Subsequently, RCD.score was conducted through machine-learning. Two psoriasis subclasses were identified., each exhibiting distinctive molecular patterns and immunologic landscape. Specifically, patients in molecular cluster B exhibited an immunosuppressive microenvironment, suggesting a non-inflamed immune infiltration phenotype. Then, an RCD.score was conducted, and RCD.score demonstrated promising diagnostic capabilities across 10 datasets. High RCD.score category exhibited a more active immune microenvironment, suggesting an inflamed immune infiltration phenotype. Additionally, scRNA-seq revealed an association between cell types and RCD.score, and RCD.score was higher in the T cells and psoriasis patients. Furthermore, Mendelian randomization screening revealed five genes (<em>CDH6</em>, <em>MTHFR</em>, <em>DNMT3A</em>, <em>SETD1A</em>, and <em>RGS14</em>) as feature genes for psoriasis, and validated in psoriasis patients. Recognizing RCD.score serves as an essential resource for prediction of psoriasis diagnostic, carrying wide-ranging implications for clinical practice.</div></div>","PeriodicalId":53463,"journal":{"name":"Journal of Genetic Engineering and Biotechnology","volume":"23 3","pages":"Article 100526"},"PeriodicalIF":3.5,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144307879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Khursheed Ahmad Sheikh , Reyaz Hassan Mir , Mohammad Ovais Dar , Adil Farooq Wali , Insha Qadir , Sheeba Nazir , Mohammed Iqbal Zargar , Sirajunisa Talath , Sathvik B. Sridhar , Javedh Shareef , Mubashir Hussain Masoodi
{"title":"Phytochemical screening, antioxidant, and antimicrobial analysis of Portulaca oleracea seeds with in-silico molecular docking insights","authors":"Khursheed Ahmad Sheikh , Reyaz Hassan Mir , Mohammad Ovais Dar , Adil Farooq Wali , Insha Qadir , Sheeba Nazir , Mohammed Iqbal Zargar , Sirajunisa Talath , Sathvik B. Sridhar , Javedh Shareef , Mubashir Hussain Masoodi","doi":"10.1016/j.jgeb.2025.100516","DOIUrl":"10.1016/j.jgeb.2025.100516","url":null,"abstract":"<div><h3>Background</h3><div><em>Portulaca oleracea</em> (PO), an annual succulent herb with global distribution, has been used medicinally since ancient times, earning the title “global panacea.”</div></div><div><h3>Aim</h3><div>This study aimed to perform phytochemical screening, antioxidant and antimicrobial analysis of PO seeds, including GCMS analysis of methanolic extract and molecular docking for antimicrobial mechanisms.</div></div><div><h3>Materials and Methods</h3><div>PO seeds underwent phytochemical screening and methanolic extract analysis via DPPH, NO radical scavenging, and reducing power assays. Antimicrobial activity was tested against bacteria and fungi, with GCMS identifying compounds. Molecular docking was conducted via Autodock vina, against targets beta-tubulin (5FNV) and ABC transporter (6J9W).</div></div><div><h3>Results</h3><div>Methanolic extract showed strong antioxidant activity (IC<sub>50</sub>: 125.2 µg/ml for DPPH, 402.89 µg/ml for NO) and concentration-dependent reducing power. It was highly effective against <em>Saccharomyces cerevisiae</em> and <em>Hypochrea viridescens</em>. GCMS identified colchicine, n-decanoic acid, and triepoxydecane, with colchicine showing high binding affinity to protein targets.</div></div><div><h3>Conclusion</h3><div>The methanolic extract’s potent antioxidant and antimicrobial effects, supported by colchicine’s binding affinity, validate PO’s medicinal potential, suggesting further therapeutic exploration.</div></div>","PeriodicalId":53463,"journal":{"name":"Journal of Genetic Engineering and Biotechnology","volume":"23 3","pages":"Article 100516"},"PeriodicalIF":3.5,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144308055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}