基于端粒G-四链体结构的三阴性乳腺癌细胞抑制剂的虚拟筛选（英文）
发布时间：2021-09-03 05:53
三阴性乳腺癌是乳腺癌中最具侵略性的亚型,经常对化疗药物产生耐药性。靶向该肿瘤相关基因的G-四链体结构,有望开发出新的抗肿瘤药物。本研究靶向21-mer端粒G-四链体结构,通过基于结构的高通量虚拟筛选,得到可稳定端粒G-四链体的化合物VB07和VC02。细胞毒性实验表明,VB07和VC02在5μM的浓度下对三阴性乳腺癌细胞具有抑制作用。这项研究表明基于结构的高通量虚拟筛选可以成功地发现靶向端粒G-四链体的化合物,并利用此方法发现可抑制三阴性乳腺癌细胞的新化合物。
【文章来源】：Journal of Chinese Pharmaceutical Sciences. 2020,29(06)CSCD
【文章页数】：7 页
【文章目录】：
1. Introduction
2. Material and methods
2.1. Materials
2.2. Structure-based high-throughput virtual screening
2.3. FRET assay
2.4. Cell cytotoxicity assay
3. Results and discussion
3.1. Structure-based virtual screening for telomere G-quadruplex ligands
3.2. VB07 shows high stabilization ability for the telomere G-quadruplex
3.3. Binding mode prediction of telomere G-quadruplex and candidate compounds by molecular docking
3.4. VB07 and VC02 inhibit proliferation of breast cancer cells
4. Conclusions
本文编号：3380541
【文章来源】：Journal of Chinese Pharmaceutical Sciences. 2020,29(06)CSCD
【文章页数】：7 页
【文章目录】：
1. Introduction
2. Material and methods
2.1. Materials
2.2. Structure-based high-throughput virtual screening
2.3. FRET assay
2.4. Cell cytotoxicity assay
3. Results and discussion
3.1. Structure-based virtual screening for telomere G-quadruplex ligands
3.2. VB07 shows high stabilization ability for the telomere G-quadruplex
3.3. Binding mode prediction of telomere G-quadruplex and candidate compounds by molecular docking
3.4. VB07 and VC02 inhibit proliferation of breast cancer cells
4. Conclusions
本文编号：3380541
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