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Search Results (22)
  • Open Access

    ARTICLE

    GC-MS Analysis, Antimicrobial Activity, and Genotoxicity of Pimpinella anisum Essential oil: In Vitro, ADMET and Molecular Docking Investigations

    Ahmed Qasem*

    Phyton-International Journal of Experimental Botany, Vol.94, No.3, pp. 809-824, 2025, DOI:10.32604/phyton.2025.062683 - 31 March 2025

    Abstract Pimpinella anisum, commonly known as anise, is generally used in both folk medicine and the culinary world. In traditional medicine, it is valued for its digestive, respiratory, and antispasmodic properties. This study aims to examine the volatile compounds and antibacterial effect of P. anisum essential oil (PAEO) as well as for the first time its genotoxicity employing both in vitro and computational approaches. Gas chromatography-mass spectrometry (GC-MS) analysis identified anethole as the principal compound, which comprises 92.47% of PAEO. PAEO was tested for its potential antibacterial properties against Bacillus subtilis ATCC 6633, Listeria innocua ATCC 33090, Staphylococcus aureus ATCC 29213, Klebsiella aerogenesMore >

  • Open Access

    ARTICLE

    ERLNs augment simultaneous delivery of GFSV into PC-3 cells: Influence of drug combination on SDH, GPX-4, 5α-RD, and cytotoxicity

    RIYAD F. ALZHRANI1, LAMA BINOBAID2, ABDULAZIZ A. ALORAINI1, MESHAL S. ALSAHLI1, AHMED H. BAKHEIT3, HANADI H. ASIRI3, SABRY M. ATTIA2, ALI ALHOSHANI2, GAMALELDIN I. HARISA1,*

    Oncology Research, Vol.33, No.4, pp. 919-935, 2025, DOI:10.32604/or.2024.054537 - 19 March 2025

    Abstract Objective: Prostate cancer (PCA) is the second most widespread cancer among men globally, with a rising mortality rate. Enzyme-responsive lipid nanoparticles (ERLNs) are promising vectors for the selective delivery of anticancer agents to tumor cells. The goal of this study is to fabricate ERLNs for dual delivery of gefitinib (GF) and simvastatin (SV) to PCA cells. Methods: ERLNs loaded with GF and SV (ERLNGFSV) were assembled using bottom-up and top-down techniques. Subsequently, these ERLN cargoes were coated with triacylglycerol, and phospholipids and capped with chitosan (CS). The ERLNGFSV, and CS engineered ERLNGFSV (CERLNGFSV) formulations were… More > Graphic Abstract

    ERLNs augment simultaneous delivery of GFSV into PC-3 cells: Influence of drug combination on SDH, GPX-4, 5α-RD, and cytotoxicity

  • Open Access

    ARTICLE

    GC-MS Profiling, In Vitro and In Silico Antibacterial and Antioxidant Potential of Origanum elongatum Essential Oil: Novel Source against Phytopathogenic Bacteria

    Amine Batbat1,2, Mohamed El Fadili3, Naoufal El Hachlafi4,*, Amine Elbouzidi5,*, Chaymae Hmimen6, Hiba Yahyaoui2,7, Samir Jeddi6, Abdellatif Benbouazza2, Kawtar Fikri-Benbrahim6, Mohamed Addi5, Samiah Hamad Al-Mijalli8, Khaoula Habbadi2, Hassane Greche1

    Phyton-International Journal of Experimental Botany, Vol.94, No.2, pp. 481-501, 2025, DOI:10.32604/phyton.2025.059841 - 06 March 2025

    Abstract This study highlights the regulatory potential antibacterial and antiradical of Origanum elongatum essential oil (EO), an endemic medicinal plant of Morocco used for its various properties. The chemical composition of the EO was characterized using gas chromatography-mass spectrometry (GC-MS). The antibacterial activity against different agricultural phytopathogens was determined by disc diffusion and microatmosphere methods, as well as by the determination of minimum inhibitory concentrations (MIC) and minimum bactericidal concentration (MBC), while the antioxidant activity was evaluated by DPPH and FRAP assays. To complement the experimental analyses, a molecular docking approach was used to predict and elucidate… More >

  • Open Access

    ARTICLE

    SBL-JP-0004: A promising dual inhibitor of JAK2 and PI3KCD against gastric cancer

    HASSAN M. OTIFI*

    Oncology Research, Vol.33, No.1, pp. 235-243, 2025, DOI:10.32604/or.2024.055677 - 20 December 2024

    Abstract Background: Gastric cancer (GC) remains a global health burden and is often characterized by heterogeneous molecular profiles and resistance to conventional therapies. The phosphoinositide 3-kinase and PI3K and Janus kinase (JAK) signal transducer and activator of transcription (JAK-STAT) pathways play pivotal roles in GC progression, making them attractive targets for therapeutic interventions. Methods: This study applied a computational and molecular dynamics simulation approach to identify and characterize SBL-JP-0004 as a potential dual inhibitor of JAK2 and PI3KCD kinases. KATOIII and SNU-5 GC cells were used for in vitro evaluation. Results: SBL-JP-0004 exhibited a robust binding affinity for… More >

  • Open Access

    ARTICLE

    Initial steps on the analysis of the underlying pharmacological mechanisms of Wendan decoction on sudden deafness using network pharmacology and molecular docking

    SHIMING YE1,2,#, YUFENG ZHANG3,#, TING LIU4, CONG WANG3, ZHENG YAN5, WANDONG SHE2,*, HAIBING HUA4,*

    BIOCELL, Vol.47, No.9, pp. 1947-1964, 2023, DOI:10.32604/biocell.2023.029333 - 28 September 2023

    Abstract Background: Despite its widespread therapeutic use and effectiveness, the underlying pharmacologic mechanisms of Wendan decoction (WDD) and how it works to treat sudden deafness (SD) remain unclear. In this study, the pharmacological mechanisms of WDD underlying SD were analyzed using network pharmacology and molecular docking. Methods: The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) was employed to identify the active compounds and target genes of WDD, and genes associated with SD were screened on five databases. RGUI conducted Gene Ontology (GO) functional and the Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses. A… More >

  • Open Access

    ARTICLE

    Study of molecular mechanisms underlying the medicinal plant Tripterygium wilfordii-derived compound celastrol in treating diabetic nephropathy based on network pharmacology and molecular docking

    FENGMEI QIAN1,2, PEIYAO REN2, LI ZHAO2, DANNA ZHENG2, WENFANG HE3, JUAN JIN3,*

    BIOCELL, Vol.47, No.8, pp. 1853-1867, 2023, DOI:10.32604/biocell.2023.029353 - 28 August 2023

    Abstract Background: Diabetic nephropathy (DN) is a serious complication of diabetes with rising prevalence worldwide. We aimed to explore the anti-DN mechanisms of the compound celastrol derived from the medicinal plant Tripterygium wilfordii. Methods: Celastrol-related targets were obtained from Herbal Ingredients’ Targets (HIT) and GeneCards databases. DN-related targets were retrieved from GeneCards, DisGeNET, and Therapeutic Targets Database (TTD). A Protein-protein interaction (PPI) network was established using the Search Tool for the Retrieval of Interacting Genes (STRING) database. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed using ClusterProfiler. The cytoHubba plugin… More > Graphic Abstract

    Study of molecular mechanisms underlying the medicinal plant <i>Tripterygium wilfordii</i>-derived compound celastrol in treating diabetic nephropathy based on network pharmacology and molecular docking

  • Open Access

    ARTICLE

    Exploration of the oxidative-inflammatory potential targets of Coicis Semen in osteoarthritis: Data mining and systematic pharmacology

    QIAO ZHOU2,3,4, JIAN LIU1,2,*, LING XIN1, YANYAN FANG1,2, LEI WAN1,2, DAN HUANG1,2, JIANTING WEN1,2

    BIOCELL, Vol.47, No.7, pp. 1623-1643, 2023, DOI:10.32604/biocell.2023.028331 - 21 June 2023

    Abstract Objective: On the basis of data mining, systematic pharmacology, molecular docking, and experiment validation, the oxidative-inflammatory molecular targets of Coicis Semen in the therapy of osteoarthritis (OA) were explored. Methods: The association rule analysis was effectively applied to highlight the correlation between Coicis Semen and oxidative inflammation indices. The random walk model was subsequently used to evaluate the clinical efficacy of Coicis Semen. Network pharmacology was used to predict network targets. The binding affinity of the active ingredient in Coicis Semen to the key target of OA was also successfully predicted. Results: Coicis Semen showed a significant reduction in oxidative-inflammatory indicators… More >

  • Open Access

    ARTICLE

    Exploring the mechanisms of magnolol in the treatment of periodontitis by integrating network pharmacology and molecular docking

    DER-JEU CHEN, CHENG-HUNG LAI*

    BIOCELL, Vol.47, No.6, pp. 1317-1327, 2023, DOI:10.32604/biocell.2023.028883 - 19 May 2023

    Abstract Background: Magnolol, a bioactive extract of the Chinese herb Magnolia officinalis has a protective effect against periodontitis. This study is aimed to explore the mechanisms involved in the functioning of magnolol against periodontitis and provide a basis for further research. Methods: Network pharmacology analysis was performed based on the identification of related targets from public databases. The Protein-protein interaction (PPI) network was constructed to visualize the significance between the targets of magnolol and periodontitis. Subsequently, Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis were performed to predict the functions and the signal regulatory… More >

  • Open Access

    ARTICLE

    Network pharmacology and molecular docking identify mechanisms of medicinal plant-derived 1,2,3,4,6-penta-O-galloyl-beta-D-glucose treating gastric cancer

    MAN REN1,2,3,#, YUAN YANG1,2,#, DAN LI4, NANNAN ZHAO5, YUPING WANG2,6,*, YONGNING ZHOU2,6,*

    BIOCELL, Vol.47, No.5, pp. 977-989, 2023, DOI:10.32604/biocell.2023.028402 - 10 April 2023

    Abstract Background: 1,2,3,4,6-penta-O-galloyl-beta-D-glucose (PGG) is a natural polyphenolic compound derived from multiple medicinal plants with favorable anticancer activity. Methods: In this study, the mechanisms of PGG against gastric cancer were explored through network pharmacology and molecular docking. First, the targets of PGG were searched in the Herbal Ingredients’ Targets (HIT), Similarity Ensemble Approach (SEA), and Super-PRED databases. The potential targets related to gastric cancer were predicted from the Human Gene Database (GeneCards) and DisGeNET databases. The intersecting targets of PGG and gastric cancer were obtained by Venn diagram and then subjected to protein-protein interaction analysis to screen… More >

  • Open Access

    REVIEW

    A comprehensive analysis of the role of molecular docking in the development of anticancer agents against the cell cycle CDK enzyme

    PRIYANKA SOLANKI1, NISARG RANA1, PRAKASH C. JHA2, ANU MANHAS1,*

    BIOCELL, Vol.47, No.4, pp. 707-729, 2023, DOI:10.32604/biocell.2023.026615 - 08 March 2023

    Abstract Cancer is considered one of the most lethal diseases responsible for causing deaths worldwide. Although there have been many breakthroughs in anticancer development, cancer remains the major cause of death globally. In this regard, targeting cancer-causing enzymes is one of the efficient therapeutic strategies. Biological functions like cell cycle, transcription, metabolism, apoptosis, and other depend primarily on cyclin-dependent kinases (CDKs). These enzymes help in the replication of DNA in the normal cell cycle process, and deregulation in the functioning of any CDK can cause abnormal cell growth, which leads to cancer. This review is focused More >

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