{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T22:29:40Z","timestamp":1791325780105,"version":"4.3.1"},"reference-count":54,"publisher":"MDPI AG","issue":"5","license":[{"start":{"date-parts":[[2025,4,30]],"date-time":"2025-04-30T00:00:00Z","timestamp":1745971200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Pharmaceuticals"],"abstract":"<jats:p>Background\/Objectives: Cancer remains one of the leading causes of mortality globally, underscoring the need for novel therapeutic strategies capable of targeting multiple molecular pathways simultaneously. Natural products, particularly fungal-derived metabolites from the genus Cordyceps, represent promising candidates due to their diverse biological activities. Although previous studies have indicated the anticancer potential of Cordyceps species, systematic characterization of their molecular targets has been limited. This study aimed to comprehensively identify and evaluate Cordyceps metabolites as potential multitarget anticancer agents through a network pharmacology approach. Methods: A total of 129 metabolites previously reported in the literature from polar aqueous, alcoholic, and non-polar extracts of Cordyceps were compiled and chemically classified using ChemMine tools. Structure-based target prediction and pathway enrichment analyses were performed to investigate their potential biological targets. Predicted molecular targets were cross-referenced with differentially expressed genes in breast, colorectal, and lung cancers to identify hub proteins. Molecular docking simulations were conducted to assess binding affinities of metabolites to key oncogenic targets, and SwissADME was utilized for pharmacokinetic profiling. Results: The analysis revealed that Cordyceps metabolites targeted critical oncogenic pathways, including cell cycle regulation, DNA replication, and apoptosis. Hub proteins such as TYMS, AURKA, and CDK1 were identified as primary targets. Docking simulations highlighted metabolites such as cordycepsidone A, jiangxienone, and flazin, demonstrating binding affinities comparable or superior to clinically used inhibitors. Pharmacokinetic profiling identified several metabolites with favorable drug-like properties, supporting their potential as lead compounds. Conclusions:Cordyceps extracts contain structurally diverse metabolites capable of modulating multiple cancer-relevant molecular targets, providing a robust foundation for their development into multitarget anticancer therapies. This integrative network pharmacology approach underscores the potential of fungal metabolites in oncology drug discovery.<\/jats:p>","DOI":"10.3390\/ph18050667","type":"journal-article","created":{"date-parts":[[2025,5,2]],"date-time":"2025-05-02T11:35:13Z","timestamp":1746185713000},"page":"667","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["The Cordyceps Genus as a Potential Source of Bioactive Compounds for Adjuvant Cancer Therapy: A Network Pharmacology Approach"],"prefix":"10.3390","volume":"18","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8563-9852","authenticated-orcid":false,"given":"Jose Luis","family":"Gonzalez-Llerena","sequence":"first","affiliation":[{"name":"Laboratory of Molecular Pharmacology and Biological Models, School of Chemistry, Universidad Autonoma de Nuevo Leon, Monterrey 64570, Nuevo Leon, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-4464-510X","authenticated-orcid":false,"given":"Daniela","family":"Trevi\u00f1o-Almaguer","sequence":"additional","affiliation":[{"name":"Laboratory of Molecular Pharmacology and Biological Models, School of Chemistry, Universidad Autonoma de Nuevo Leon, Monterrey 64570, Nuevo Leon, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jesus Alejandro","family":"Leal-Mendez","sequence":"additional","affiliation":[{"name":"Laboratory of Molecular Pharmacology and Biological Models, School of Chemistry, Universidad Autonoma de Nuevo Leon, Monterrey 64570, Nuevo Leon, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0009-0669-8837","authenticated-orcid":false,"given":"Gael","family":"Garcia-Valdez","sequence":"additional","affiliation":[{"name":"Laboratory of Molecular Pharmacology and Biological Models, School of Chemistry, Universidad Autonoma de Nuevo Leon, Monterrey 64570, Nuevo Leon, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0000-5889-8552","authenticated-orcid":false,"given":"Arely Guadalupe","family":"Balderas-Moreno","sequence":"additional","affiliation":[{"name":"Laboratory of Molecular Pharmacology and Biological Models, School of Chemistry, Universidad Autonoma de Nuevo Leon, Monterrey 64570, Nuevo Leon, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6886-4724","authenticated-orcid":false,"given":"Michel St\u00e9phane","family":"Heya","sequence":"additional","affiliation":[{"name":"Faculty of Public Health and Nutrition, Universidad Autonoma de Nuevo Leon, Monterrey 64460, Nuevo Leon, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5428-393X","authenticated-orcid":false,"given":"Isaias","family":"Balderas-Renteria","sequence":"additional","affiliation":[{"name":"Laboratory of Molecular Pharmacology and Biological Models, School of Chemistry, Universidad Autonoma de Nuevo Leon, Monterrey 64570, Nuevo Leon, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8179-7231","authenticated-orcid":false,"given":"Mar\u00eda del Rayo","family":"Camacho-Corona","sequence":"additional","affiliation":[{"name":"Laboratory of Pharmaceutical Chemistry, School of Chemistry, Universidad Autonoma de Nuevo Leon, Monterrey 64570, Nuevo Leon, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0967-2677","authenticated-orcid":false,"given":"Bryan Alejandro","family":"Espinosa-Rodriguez","sequence":"additional","affiliation":[{"name":"Laboratory of Biopharmacy, School of Chemistry, Universidad Autonoma de Nuevo Leon, San Nicolas de los Garza 66451, Nuevo Leon, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2025,4,30]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"646","DOI":"10.1016\/j.cell.2011.02.013","article-title":"Hallmarks of Cancer: The Next Generation","volume":"144","author":"Hanahan","year":"2011","journal-title":"Cell"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"229","DOI":"10.3322\/caac.21834","article-title":"Global Cancer Statistics 2022: GLOBOCAN Estimates of Incidence and Mortality Worldwide for 36 Cancers in 185 Countries","volume":"74","author":"Bray","year":"2024","journal-title":"CA Cancer J. Clin."},{"key":"ref_3","unstructured":"National Cancer Institute (2025, February 10). Types of Cancer Treatment. Cancer.gov, Available online: https:\/\/www.cancer.gov\/about-cancer\/treatment\/types."},{"key":"ref_4","unstructured":"National Comprehensive Cancer Network (2025, February 10). NCCN Clinical Practice Guidelines in Oncology. NCCN.org. Available online: https:\/\/www.nccn.org\/."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"e21695","DOI":"10.1097\/MD.0000000000021695","article-title":"Relationship between Chemotherapy-Induced Adverse Reactions and Health-Related Quality of Life in Patients with Breast Cancer","volume":"99","author":"Rivera","year":"2020","journal-title":"Medicine"},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"320","DOI":"10.1093\/molbev\/msz242","article-title":"Molecular Biology and Evolution of Cancer: From Discovery to Action","volume":"37","author":"Somarelli","year":"2020","journal-title":"Mol. Biol. Evol."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1016\/S0092-8674(00)81683-9","article-title":"The Hallmarks of Cancer","volume":"100","author":"Hanahan","year":"2000","journal-title":"Cell"},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1038\/s41392-023-01442-3","article-title":"Signaling Pathways in Cancer Metabolism: Mechanisms and Therapeutic Targets","volume":"8","author":"You","year":"2023","journal-title":"Signal Transduct. Target. Ther."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1158\/2159-8290.CD-21-1059","article-title":"Hallmarks of Cancer: New Dimensions","volume":"12","author":"Hanahan","year":"2022","journal-title":"Cancer Discov."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1038\/nature25167","article-title":"Senescence-Associated Reprogramming Promotes Cancer Stemness","volume":"553","author":"Milanovic","year":"2018","journal-title":"Nature"},{"key":"ref_11","first-page":"359","article-title":"Synergistic Cytotoxicity Effect of the Combination of Chitosan Nanoencapsulated Imatinib Mesylate and Quercetin in BCR-ABL Positive K562 Cells","volume":"26","author":"Kamyabi","year":"2023","journal-title":"Iran. J. Basic Med. Sci."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"216894","DOI":"10.1016\/j.canlet.2024.216894","article-title":"Unraveling the Tumor Microenvironment: Insights into Cancer Metastasis and Therapeutic Strategies","volume":"591","author":"Rabbani","year":"2024","journal-title":"Cancer Lett."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"eaat7807","DOI":"10.1126\/scitranslmed.aat7807","article-title":"The Hallmarks of Successful Anticancer Immunotherapy","volume":"10","author":"Galluzzi","year":"2018","journal-title":"Sci. Transl. Med."},{"key":"ref_14","doi-asserted-by":"crossref","unstructured":"Asma, S.T., Acaroz, U., Imre, K., Morar, A., Shah, S.R.A., Hussain, S.Z., Arslan-Acaroz, D., Demirbas, H., Hajrulai-Musliu, Z., and Istanbullugil, F.R. (2022). Natural Products\/Bioactive Compounds as a Source of Anticancer Drugs. Cancers, 14.","DOI":"10.3390\/cancers14246203"},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"112502","DOI":"10.1016\/j.ejmech.2020.112502","article-title":"Anticancer Fungal Natural Products: Mechanisms of Action and Biosynthesis","volume":"202","author":"Yuan","year":"2020","journal-title":"Eur. J. Med. Chem."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"753","DOI":"10.1080\/07388551.2023.2231139","article-title":"Bioactive Compounds from Cordyceps and Their Therapeutic Potential","volume":"44","author":"Krishna","year":"2024","journal-title":"Crit. Rev. Biotechnol."},{"key":"ref_17","doi-asserted-by":"crossref","unstructured":"Radhi, M., Ashraf, S., Lawrence, S., Tranholm, A.A., Wellham, P.A.D., Hafeez, A., Khamis, A.S., Thomas, R., McWilliams, D., and de Moor, C.H. (2021). A Systematic Review of the Biological Effects of Cordycepin. Molecules, 26.","DOI":"10.3390\/molecules26195886"},{"key":"ref_18","doi-asserted-by":"crossref","unstructured":"Zhou, H.B., Feng, L.J., Weng, X.H., Wang, T., Lu, H., Bian, Y.B., Huang, Z.Y., and Zhang, J.L. (2024). Inhibition Mechanism of Cordycepin and Ergosterol from Cordyceps militaris Link. against Xanthine Oxidase and Cyclooxygenase-2. Int. J. Biol. Macromol., 258.","DOI":"10.1016\/j.ijbiomac.2023.128898"},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"e34531","DOI":"10.1016\/j.heliyon.2024.e34531","article-title":"Integrative Network Pharmacology, Molecular Docking, and Dynamic Simulation Analysis of a Polyherbal Formulation for Potential Therapeutic Impact on Prostate Cancer","volume":"10","author":"Yasar","year":"2024","journal-title":"Heliyon"},{"key":"ref_20","first-page":"631","article-title":"Profiling and Identification of Aqueous Extract of Cordyceps sinensis by Ultra-High Performance Liquid Chromatography Tandem Quadrupole-Orbitrap Mass Spectrometry","volume":"17","author":"Yao","year":"2019","journal-title":"Chin. J. Nat. Med."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"9755","DOI":"10.3390\/molecules18089755","article-title":"Characterization of Nucleosides and Nucleobases in Natural Cordyceps by HILIC\u2013ESI\/TOF\/MS and HILIC\u2013ESI\/MS","volume":"18","author":"Zhao","year":"2013","journal-title":"Molecules"},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"838","DOI":"10.1111\/j.1365-2184.2009.00636.x","article-title":"Ecology-based Screen Identifies New Metabolites from a Cordyceps-colonizing Fungus as Cancer Cell Proliferation Inhibitors and Apoptosis Inducers","volume":"42","author":"Chen","year":"2009","journal-title":"Cell Prolif."},{"key":"ref_23","doi-asserted-by":"crossref","unstructured":"Guo, L.-X., Xu, X.-M., Liang, F.-R., Yuan, J.-P., Peng, J., Wu, C.-F., and Wang, J.-H. (2015). Morphological Observations and Fatty Acid Composition of Indoor-Cultivated Cordyceps sinensis at a High-Altitude Laboratory on Sejila Mountain, Tibet. PLoS ONE, 10.","DOI":"10.1371\/journal.pone.0126095"},{"key":"ref_24","doi-asserted-by":"crossref","unstructured":"Hwang, I.-H., Oh, S.Y., Jang, H.-J., Jo, E., Joo, J.C., Lee, K.-B., Yoo, H.-S., Lee, M.Y., Park, S.J., and Jang, I.-S. (2017). Cordycepin Promotes Apoptosis in Renal Carcinoma Cells by Activating the MKK7-JNK Signaling Pathway through Inhibition of c-FLIPL Expression. PLoS ONE, 12.","DOI":"10.1371\/journal.pone.0186489"},{"key":"ref_25","doi-asserted-by":"crossref","unstructured":"Tang, C., Li, X., Wang, T., Wang, J., Xiao, M., He, M., Chang, X., Fan, Y., and Li, Y. (2023). Characterization of Metabolite Landscape Distinguishes Medicinal Fungus Cordyceps sinensis and Other Cordyceps by UHPLC-Q Exactive HF-X Untargeted Metabolomics. Molecules, 28.","DOI":"10.3390\/molecules28237745"},{"key":"ref_26","doi-asserted-by":"crossref","unstructured":"Zhang, M., Sun, X., Miao, Y., Li, M., and Huang, L. (2022). Cordyceps cicadae and Cordyceps Gunnii Have Closer Species Correlation with Cordyceps sinensis: From the Perspective of Metabonomic and MaxEnt Models. Sci. Rep., 12.","DOI":"10.1038\/s41598-022-24309-z"},{"key":"ref_27","doi-asserted-by":"crossref","unstructured":"Qu, S.-L., Xie, J., Wang, J.-T., Li, G.-H., Pan, X.-R., and Zhao, P.-J. (2023). Activities and Metabolomics of Cordyceps gunnii under Different Culture Conditions. Front. Microbiol., 13.","DOI":"10.3389\/fmicb.2022.1076577"},{"key":"ref_28","first-page":"1261","article-title":"Cordyceps sinensis Attenuates HBx-induced Cell Apoptosis in HK-2 Cells through Suppressing the PI3K\/Akt Pathway","volume":"45","author":"He","year":"2020","journal-title":"Int. J. Mol. Med."},{"key":"ref_29","doi-asserted-by":"crossref","unstructured":"Jo, E., Jang, H.J., Yang, K.E., Jang, M.S., Huh, Y.H., Yoo, H.S., Park, J.S., Jang, I.S., and Park, S.J. (2020). Cordyceps militaris Induces Apoptosis in Ovarian Cancer Cells through TNF-\u03b1\/TNFR1-Mediated Inhibition of NF-\u039aB Phosphorylation. BMC Complement. Med. Ther., 20.","DOI":"10.1186\/s12906-019-2780-5"},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"13927","DOI":"10.3390\/molecules200813927","article-title":"Cordyceps militaris (L.) Link Fruiting Body Reduces the Growth of a Non-Small Cell Lung Cancer Cell Line by Increasing Cellular Levels of P53 and P21","volume":"20","author":"Bizarro","year":"2015","journal-title":"Molecules"},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"e1480","DOI":"10.1002\/ctm2.1480","article-title":"C9orf142 Transcriptionally Activates MTBP to Drive Progression and Resistance to CDK4\/6 Inhibitor in Triple-negative Breast Cancer","volume":"13","author":"Liao","year":"2023","journal-title":"Clin. Transl. Med."},{"key":"ref_32","doi-asserted-by":"crossref","unstructured":"Meng, Q., Wu, F., Li, G., Xu, F., Liu, L., Zhang, D., Lu, Y., Xie, H., and Chen, X. (2022). Exploring Precise Medication Strategies for OSCC Based on Single-Cell Transcriptome Analysis from a Dynamic Perspective. Cancers, 14.","DOI":"10.3390\/cancers14194801"},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"539","DOI":"10.1021\/jm900817u","article-title":"Three-Dimensional Pharmacophore Methods in Drug Discovery","volume":"53","author":"Leach","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref_34","doi-asserted-by":"crossref","unstructured":"Chen, J., Wu, X., and Yu, R. (2023). Unraveling the Therapeutic Mechanism of Saussurea Involucrata against Rheumatoid Arthritis: A Network Pharmacology and Molecular Modeling-Based Investigation. Nutrients, 15.","DOI":"10.3390\/nu15194294"},{"key":"ref_35","doi-asserted-by":"crossref","unstructured":"Braicu, C., Buse, M., Busuioc, C., Drula, R., Gulei, D., Raduly, L., Rusu, A., Irimie, A., Atanasov, A.G., and Slaby, O. (2019). A Comprehensive Review on MAPK: A Promising Therapeutic Target in Cancer. Cancers, 11.","DOI":"10.3390\/cancers11101618"},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"80","DOI":"10.5306\/wjco.v2.i2.80","article-title":"Tyrosine Kinase Inhibitors: Multi-Targeted or Single-Targeted?","volume":"2","author":"Broekman","year":"2011","journal-title":"World J. Clin. Oncol."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"12844","DOI":"10.1021\/acs.jafc.9b04600","article-title":"Flazin as a Promising Nrf2 Pathway Activator","volume":"67","author":"Fuda","year":"2019","journal-title":"J. Agric. Food Chem."},{"key":"ref_38","doi-asserted-by":"crossref","unstructured":"Dibwe, D.F., Oba, S., Takeishi, N., Sakurai, T., Tsukui, T., Chiba, H., and Hui, S.-P. (2022). Food-Derived \u03b2-Carboline Alkaloids Ameliorate Lipid Droplet Accumulation in Human Hepatocytes. Pharmaceuticals, 15.","DOI":"10.3390\/ph15050578"},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1016\/j.phytol.2017.08.005","article-title":"Secondary Metabolites Produced by an Endophytic Fungus Cordyceps ninchukispora from the Seeds of Beilschmiedia Erythrophloia Hayata","volume":"22","author":"Chang","year":"2017","journal-title":"Phytochem. Lett."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1016\/S0031-9422(99)00272-1","article-title":"Bioactive Naphthoquinones from Cordyceps unilateralis","volume":"52","author":"Kittakoop","year":"1999","journal-title":"Phytochemistry"},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"99","DOI":"10.1248\/cpb.57.99","article-title":"Cordyceamides A and B from the Culture Liquid of Cordyceps sinensis (BERK.) SACC","volume":"57","author":"Jia","year":"2009","journal-title":"Chem. Pharm. Bull."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"136946","DOI":"10.1016\/j.molstruc.2023.136946","article-title":"Antitumor Activity of Cordycepin in Murine Malignant Tumor Cell Line: An In Vitro and in Silico Study","volume":"1297","author":"Das","year":"2024","journal-title":"J. Mol. Struct."},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"D1388","DOI":"10.1093\/nar\/gkaa971","article-title":"PubChem in 2021: New Data Content and Improved Web Interfaces","volume":"49","author":"Kim","year":"2021","journal-title":"Nucleic Acids Res."},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"W486","DOI":"10.1093\/nar\/gkr320","article-title":"ChemMine Tools: An Online Service for Analyzing and Clustering Small Molecules","volume":"39","author":"Backman","year":"2011","journal-title":"Nucleic Acids Res."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"W32","DOI":"10.1093\/nar\/gku293","article-title":"SwissTargetPrediction: A Web Server for Target Prediction of Bioactive Small Molecules","volume":"42","author":"Gfeller","year":"2014","journal-title":"Nucleic Acids Res."},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1038\/nbt1284","article-title":"Relating Protein Pharmacology by Ligand Chemistry","volume":"25","author":"Keiser","year":"2007","journal-title":"Nat. Biotechnol."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"W556","DOI":"10.1093\/nar\/gkz430","article-title":"GEPIA2: An Enhanced Web Server for Large-Scale Expression Profiling and Interactive Analysis","volume":"47","author":"Tang","year":"2019","journal-title":"Nucleic Acids Res."},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"D638","DOI":"10.1093\/nar\/gkac1000","article-title":"The STRING Database in 2023: Protein\u2013Protein Association Networks and Functional Enrichment Analyses for Any Sequenced Genome of Interest","volume":"51","author":"Szklarczyk","year":"2023","journal-title":"Nucleic Acids Res."},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"2498","DOI":"10.1101\/gr.1239303","article-title":"Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks","volume":"13","author":"Shannon","year":"2003","journal-title":"Genome Res."},{"key":"ref_50","doi-asserted-by":"crossref","unstructured":"Chin, C.-H., Chen, S.-H., Wu, H.-H., Ho, C.-W., Ko, M.-T., and Lin, C.-Y. (2014). CytoHubba: Identifying Hub Objects and Sub-Networks from Complex Interactome. BMC Syst. Biol., 8.","DOI":"10.1186\/1752-0509-8-S4-S11"},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"2628","DOI":"10.1093\/bioinformatics\/btz931","article-title":"ShinyGO: A Graphical Gene-Set Enrichment Tool for Animals and Plants","volume":"36","author":"Ge","year":"2020","journal-title":"Bioinformatics"},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"1605","DOI":"10.1002\/jcc.20084","article-title":"UCSF Chimera\u2014A Visualization System for Exploratory Research and Analysis","volume":"25","author":"Pettersen","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"2785","DOI":"10.1002\/jcc.21256","article-title":"AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility","volume":"30","author":"Morris","year":"2009","journal-title":"J. Comput. Chem."},{"key":"ref_54","doi-asserted-by":"crossref","unstructured":"Daina, A., Michielin, O., and Zoete, V. (2017). SwissADME: A Free Web Tool to Evaluate Pharmacokinetics, Drug-Likeness and Medicinal Chemistry Friendliness of Small Molecules. Sci. Rep., 7.","DOI":"10.1038\/srep42717"}],"container-title":["Pharmaceuticals"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1424-8247\/18\/5\/667\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,9]],"date-time":"2025-10-09T17:25:15Z","timestamp":1760030715000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1424-8247\/18\/5\/667"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,4,30]]},"references-count":54,"journal-issue":{"issue":"5","published-online":{"date-parts":[[2025,5]]}},"alternative-id":["ph18050667"],"URL":"https:\/\/doi.org\/10.3390\/ph18050667","relation":{},"ISSN":["1424-8247"],"issn-type":[{"value":"1424-8247","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,4,30]]}}}