期刊
BIOENGINEERED
卷 12, 期 1, 页码 4278-4288出版社
TAYLOR & FRANCIS INC
DOI: 10.1080/21655979.2021.1956401
关键词
Osteosarcoma; Bisphenol A; calycosin; network pharmacology; molecular docking; findings
资金
- National Natural Science Foundation of China [82060740, 81660091]
- National Natural Science Foundation of Guangxi Province [2018GXNSFAA281153, 2018GXNSFAA281242]
This study characterized the therapeutic targets, biological functions, and molecular pathways of calycosin in treating BPA-related OS using network pharmacology and molecular docking analyses. The findings suggest potential clinical applications of calycosin against BPA-related OS based on core targets identified by molecular docking.
Environmentally, bisphenol A (BPA) is a well-known pollutant caused human health risk, including osteosarcoma (OS). OS, a deadly bone neoplasia, may occur in children and adults. However, the anti-OS pharmacotherapy prescribes limitedly in clinical practice. Interestingly, previous experimental evidences indicate calycosin-exerting potential anti-OS actions. Thus, in this report, we aimed to further characterize and detail the therapeutic targets and molecular mechanisms of calycosin-anti-BPA-related OS by using network pharmacology and molecular docking analyses. In results, the bioinformatics data disclosed all mapped, core targets, biological functions, molecular pathways of calycosin to treat BPA-related OS. The computational analysis using molecular docking indicated that potential binding ability of core targets in calycosin to treat BPA-related OS was identified. Moreover, detailed biological functions and optimal pathways of calycosin-anti-BPA-related OS were revealed, as shown in integrated network maps. Taken together, these network pharmacology and structural biology findings illustrate the core biotargets, pharmacological functions and pathways of calycosin-anti-BPA-related OS. Potentially, these core targets identified by molecular docking may attribute to the potential clinical application of calycosin against BPA-related OS. [GRAPHICS]
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