Mining chemodiversity from biodiversity of Taxus plants: chemistry and chemical biology

Hao, Da‐Cheng

doi:10.1016/b978-0-12-823975-9.00008-0

Cited by 1 publication

(1 citation statement)

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“…Taxanes are a kind of diterpenoids with pentamethyl pentadecene skeleton, taxanes mainly include paclitaxel, docetaxel, and derivatives with taxanes skeleton structure, which have high-efficiency and broad-spectrum anti-tumor activity, and their development has made great contributions to drug discovery and clinical application [ 12 ]. Some taxanes, such as 10-deacetylbaccatin III (10-DAB III), can be used as raw materials for semi-synthetic paclitaxel, while others, such as docetaxel, 7-xylosyl-10-deacetyltaxol (7-Xyl-10-DAT), and so on, have various pharmacological activities [ 13 , 14 ]. Paclitaxel is used to treat SCLC, for example, Annic et al’s research shows that epirubicin combined with paclitaxel can be used to treat SCLC after platinum chemotherapy failure [ 15 ].…”

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confidence: 99%

Mechanism of Taxanes in the Treatment of Lung Cancer Based on Network Pharmacology and Molecular Docking

Zhao

Tang

et al. 2023

CIMB

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Taxanes are natural compounds for the treatment of lung cancer, but the molecular mechanism behind the effects is unclear. In the present study, through network pharmacology and molecular docking, the mechanism of the target and pathway of taxanes in the treatment of lung cancer was studied. The taxanes targets were determined by PubChem database, and an effective compounds-targets network was constructed. The GeneCards database was used to determine the disease targets of lung cancer, and the intersection of compound targets and disease targets was obtained. The Protein–Protein Interaction (PPI) network of the intersection targets was analyzed, and the PPI network was constructed by Cytoscape 3.6.0 software. The hub targets were screened according to the degree value, and the binding activity between taxanes and hub targets was verified by molecular docking. The results showed that eight taxane-active compounds and 444 corresponding targets were screened out, and 131 intersection targets were obtained after mapping with lung cancer disease targets. The hub targets obtained by PPI analysis were TP53, EGFR, and AKT1. Gene Ontology (GO) biological function enrichment analysis obtained 1795 biological process (BP) terms, 101 cellular component (CC) terms, and 164 molecular function (MF) terms. There were 179 signaling pathways obtained by Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis. Twenty signaling pathways were screened out, mainly pathways in cancer, proteoglycans in cancer pathway, microRNAs in cancer pathway, and so on. Molecular docking shows that the binding energies of eight taxanes with TP53, EGFR, and AKT1 targets were less than −8.8 kcal/mol, taxanes acts on TP53, EGFR, and AKT1 targets through pathways in cancer, proteoglycans in cancer pathway and microRNAs in cancer pathway, and plays a role in treating lung cancer in biological functions such as protein binding, enzyme binding, and identical protein binding.

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