Target identification of anti-diabetic and anti-obesity flavonoid derivative (Fla-CN)

Qin, Nan; Peng, Liyuan; Jin, Mengdi; Wu, Xiaogang; Jia, Miao; Gan, Chun-Chun; Zhu, Wen; Zhang, Pan; Liu, Xinqi; Duan, Hong‐Quan

doi:10.1016/j.bioorg.2022.105674

Cited by 4 publications

(1 citation statement)

References 28 publications

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“…The molecular docking simulation was examined as described previously [ 54 ]. The co-crystal structures of 1 with HSP90α (PDB ID: 4NH8) were prepared by Protein Preparation Wizard.…”

Section: Methodsmentioning

confidence: 99%

Alkaloid Derivative (Z)-3β-Ethylamino-Pregn-17(20)-en Inhibits Triple-Negative Breast Cancer Metastasis and Angiogenesis by Targeting HSP90α

et al. 2022

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Metastasis is an important cause of cancer-related death. Previous studies in our laboratory found that pregnane alkaloids from Pachysandra terminalis had antimetastatic activity against breast cancer cells. In the current study, we demonstrated that treatment with one of the alkaloid derivatives, (Z)-3β-ethylamino-pregn-17(20)-en (1), led to the downregulation of the HIF-1α/VEGF/VEGFR2 pathway, suppressed the phosphorylation of downstream molecules Akt, mTOR, FAK, and inhibited breast cancer metastasis and angiogenesis both in vitro and in vivo. Furthermore, the antimetastasis and antiangiogenesis effects of 1 treatment (40 mg/kg) were more effective than that of Sorafenib (50 mg/kg). Surface plasmon resonance (SPR) analysis was performed and the result suggested that HSP90α was a direct target of 1. Taken together, our results suggested that compound 1 might represent a candidate antitumor agent for metastatic breast cancer.

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“…The molecular docking simulation was examined as described previously [ 54 ]. The co-crystal structures of 1 with HSP90α (PDB ID: 4NH8) were prepared by Protein Preparation Wizard.…”

Section: Methodsmentioning

confidence: 99%