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  • Open Access

    ARTICLE

    Simulation of Offshore Wind Turbine Blade Docking Based on the Stewart Platform

    Yi Zhang*, Jiamin Guo, Huanghua Peng

    Energy Engineering, Vol.120, No.11, pp. 2489-2502, 2023, DOI:10.32604/ee.2023.029496

    Abstract The windy environment is the main cause affecting the efficiency of offshore wind turbine installation. In order to improve the stability and efficiency of single-blade installation of offshore wind turbines under high wind speed conditions, the Stewart platform is used as an auxiliary tool to help dock the wind turbine blade in this paper. In order to verify the effectiveness of the Stewart platform for blade docking, a blade docking simulation system consisting of the Stewart platform, wind turbine blade, and wind load calculation module was built based on Simulink/Simscape Multibody. At the same time, the PID algorithm is used… 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

    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 compound-target network was… 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

    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 was used to select… 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

    Comparative studies on the binding site of anesthetics to GABA a receptors using in silico docking methods

    SEUNGHYUN AHN1, JUNG-YEON LEE1, JIHA SUNG1,2, HYUN JOO KIM3, SEYEON PARK1,2,*

    BIOCELL, Vol.47, No.7, pp. 1661-1673, 2023, DOI:10.32604/biocell.2023.027984

    Abstract Background: Although the GABAA receptor (GABAAR) has been proposed as the main action site for sevoflurane, isoflurane, halothane, enflurane, propofol, and benzodiazepines (BZDs), binding of these anesthetics with high-resolution structures of the GABAAR have been rarely examined by comparative docking analyses. Moreover, various combinations of ligands on more GABAARs with various subtypes need to be analyzed to understand the elaborate action mechanism of GABAARs better because some GABAA ligands showed specificity toward the distinct subtypes of the GABAAR. Methods: We performed in silico docking analysis to compare the binding modes of sevoflurane, isoflurane, halothane, enflurane, propofol, and BZDs to the… More >

  • 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

    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… 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

    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 pathways involved in… 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

    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 hub targets. Functional and… 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

    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 on anticancer drug discovery against… More >

  • Open Access

    ARTICLE

    Insilico Anticancer Peptide Prediction from Curcuma longa

    Sunil Kumar Suryawanshi1, Usha Chouhan2, Jyoti Kant Choudhari2,*

    Molecular & Cellular Biomechanics, Vol.19, No.4, pp. 191-208, 2022, DOI:10.32604/mcb.2022.023911

    Abstract Cancer is the second biggest cause of death globally, and the use of therapeutic peptides to specifically target and destroy cancer cells has gotten much interest. Cancer peptides or vaccinations are utilized to treat cancer nowadays, apart from chemotherapy, which has significant discomfort, side effects and costly. It is time demanding to identify and predict potential anticancer peptides using computational biology approaches. Thus, 3-D molecular modeling is being used to find possible ACP candidates. In this research, Curcuma longa has predicted peptide sequences were docked on breast cancer receptors and used a molecular docking technique to assess the anticipated peptides’… More >

  • Open Access

    ARTICLE

    In Vitro and in Silico Insights on the Biological Activities, Phenolic Compounds Composition of Hypericum perforatum L. Hairy Root Cultures

    Oliver Tusevski1,*, Marija Todorovska1, Jasmina Petreska Stanoeva2, Marina Stefova2, Sonja Gadzovska Simic1

    Phyton-International Journal of Experimental Botany, Vol.92, No.3, pp. 921-941, 2023, DOI:10.32604/phyton.2023.024995

    Abstract Three Hypericum perforatum hairy root lines (HR B, HR F and HR H) along with non-transformed roots were analyzed for phenolic compounds composition and in vitro enzyme inhibitory properties. In silico molecular modeling was performed to predict the interactions of the most representative phenolic compounds in HR clones with enzymes related to depression, neurodegeneration and diabetes. Chromatographic analyses revealed that HR clones represent an efficient source of quinic acid and hydroxybenzoic acids, epicatechin and procyanidin derivatives, quercetin and kaempferol glycosides, as well numerous xanthones. In vitro antidepressant activity of HR extracts through monoamine oxidase A (MAO-A) inhibition was attributed to… More >

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