Academic Journal
The interdisciplinary approach to investigate bona fide agent(s) in flavonoids or alkaloids in treating HCC.
| Τίτλος: | The interdisciplinary approach to investigate bona fide agent(s) in flavonoids or alkaloids in treating HCC. |
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| Συγγραφείς: | Oh KK; College of Medicine, Institute for Liver and Digestive Diseases, Hallym University, Chuncheon, South Korea., Yoon SJ; College of Medicine, Institute for Liver and Digestive Diseases, Hallym University, Chuncheon, South Korea., Song SH; College of Medicine, Institute for Liver and Digestive Diseases, Hallym University, Chuncheon, South Korea., Park JH; College of Medicine, Institute for Liver and Digestive Diseases, Hallym University, Chuncheon, South Korea., Kim JS; College of Medicine, Institute for Liver and Digestive Diseases, Hallym University, Chuncheon, South Korea., Kim MJ; College of Medicine, Institute for Liver and Digestive Diseases, Hallym University, Chuncheon, South Korea., Kwon GH; College of Medicine, Institute for Liver and Digestive Diseases, Hallym University, Chuncheon, South Korea., Kim DJ; College of Medicine, Institute for Liver and Digestive Diseases, Hallym University, Chuncheon, South Korea., Suk KT; College of Medicine, Institute for Liver and Digestive Diseases, Hallym University, Chuncheon, South Korea. |
| Πηγή: | Artificial cells, nanomedicine, and biotechnology [Artif Cells Nanomed Biotechnol] 2024 Dec; Vol. 52 (1), pp. 500-511. Date of Electronic Publication: 2024 Oct 10. |
| Τύπος έκδοσης: | Journal Article |
| Γλώσσα: | English |
| Στοιχεία περιοδικού: | Publisher: Taylor & Francis Country of Publication: England NLM ID: 101594777 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2169-141X (Electronic) Linking ISSN: 21691401 NLM ISO Abbreviation: Artif Cells Nanomed Biotechnol Subsets: MEDLINE |
| Imprint Name(s): | Publication: 2015- : Abingdon, Oxford : Taylor & Francis Original Publication: London : Informa Healthcare, [2013]- |
| Ιατρικοί όροι (MeSH): | Flavonoids*/chemistry , Flavonoids*/pharmacology , Flavonoids*/therapeutic use , Carcinoma, Hepatocellular*/drug therapy , Carcinoma, Hepatocellular*/metabolism , Liver Neoplasms*/drug therapy , Liver Neoplasms*/metabolism , Liver Neoplasms*/pathology , Alkaloids*/chemistry , Alkaloids*/therapeutic use , Alkaloids*/pharmacology, Antineoplastic Agents/chemistry ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/therapeutic use ; Protein Interaction Maps/drug effects ; Humans ; Molecular Docking Simulation |
| Περίληψη: | Currently, the treatment of hepatocellular carcinoma (HCC) is yet to be determined, alternatively, flavonoids or alkaloids from nature have been considered as significant mediators against HCC. In the scenario, we pioneered the most significant agent(s) in either flavonoid(s) or alkaloid(s) against HCC with cheminformatics, bioinformatics, computer screening tools and quantum chemistry concept. In prospect, the intent was to provide the theoretical scaffold in the myriad natural organic molecules. The cheminformatics (natural product activity & species source database (NPASS), SwissADME, PubChem, Similarity Ensemble Approach (SEA) and SwissTargetPrediction (STP)), bioinformatics (DisGeNET, OMIM and STRING) were employed to underpin promising therapeutic components. The protein-protein interaction (PPI) network to identify the relationships between each target and a bubble chart to elucidate key signalling pathway(s) was constructed via STRING database. Ultimately, computer screening tools (PyMOL and AutoDockTools 1.5.6) and quantum chemistry (GaussView 6 and Gaussian) concept were adopted to decrypt the key molecule(s), target(s) and key mechanism(s). The most significant target was AKT1 in PPI network, AKT1 - isorhamnetin, MCL1 - ochrindole D and PIM1 - heyneanine hydroxyindolenine were the most stable conformers to antagonize JAK-STAT signalling pathway. This study provides scientific manifestation to facilitate the clinical test despite the enormous complexity of herbal medicine, and the devised platform for further clarifying the bioactive(s) and mechanism(s) against HCC. |
| Contributed Indexing: | Keywords: Hepatocellular carcinoma; JAK–STAT signalling pathway; heyneanine hydroxyindolenine; isorhamnetin; ochrindole D |
| Substance Nomenclature: | 0 (Flavonoids) 0 (Alkaloids) 0 (Antineoplastic Agents) |
| Entry Date(s): | Date Created: 20241010 Date Completed: 20241010 Latest Revision: 20241010 |
| Update Code: | 20260130 |
| DOI: | 10.1080/21691401.2024.2413536 |
| PMID: | 39387711 |
| Βάση Δεδομένων: | MEDLINE |
| ISSN: | 2169-141X |
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| DOI: | 10.1080/21691401.2024.2413536 |