Novel α, β-Unsaturated Sophoridinic Derivatives: Design, Synthesis, Molecular Docking and Anti-Cancer Activities

被引:11
|
作者
Xu, Yiming [1 ]
Wu, Lichuan [2 ,3 ]
Dai, Hang [4 ]
Gao, Mingyan [4 ]
Rashid, Haroon Ur [1 ,5 ]
Wang, Haodong [1 ]
Xie, Peng [1 ]
Liu, Xu [1 ]
Jiang, Jun [1 ]
Wang, Lisheng [1 ]
机构
[1] Guangxi Univ, Sch Chem & Chem Engn, Nanning 530004, Peoples R China
[2] Guangxi Univ, Coll Med, Nanning 530004, Peoples R China
[3] Guangxi Normal Univ, State Key Lab Chem & Mol Engn Med Resources, Guilin 541000, Peoples R China
[4] Guangxi Univ Chinese Med, Coll Pharm, Nanning 530004, Peoples R China
[5] Sarhad Univ Sci & Informat Technol, Dept Chem, Peshawar 25120, Khyber Pakhtunk, Pakistan
来源
MOLECULES | 2017年 / 22卷 / 11期
基金
中国国家自然科学基金;
关键词
sophoridine; chalcone; derivatives; anticancer activity; molecular docking; ANTIMICROBIAL EVALUATION; BIOLOGICAL EVALUATION; LUNG-CANCER; CHALCONES; PIPERAZINE; AGENTS; DRUG;
D O I
10.3390/molecules22111967
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Using sophoridine 1 and chalcone 3 as the lead compounds, a series of novel alpha, beta-unsaturated sophoridinic derivatives were designed, synthesized, and evaluated for their in vitro cytotoxicity. Structure-activity relationship (SAR) analysis indicated that introduction of alpha, beta-unsaturated ketone moiety and heterocyclic group might significantly enhance anticancer activity. Among the compounds, 2f and 2m exhibited potential effects against HepG-2 and CNE-2 human cancer cell lines. Furthermore, molecular docking studies were performed to understand possible docking sites of the molecules on the target proteins and the mode of binding. This work provides a theoretical basis for structural optimizations and exploring anticancer pathways of this kind of compound.
引用
收藏
页数:13
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