NEW BETULIN NITRATES: SYNTHESIS, CYTOTOXIC ACTIVITY AND MOLECULAR DOCKING EVALUATION

• Authors: GaiLi Feng , Tao Wang , Rong Zhang , Jin Luo , MinJie Xiao , BaoEn He , YongQian Liu , JunXiao Wu
• Languages of publication: EN

Abstracts

EN

Betulin and its derivatives have been reported to affect several key genes of cell-cycle regulators. However, their specific targets haven’t yet been discovered. As an important cell cycle regulator, Cyclin-dependent kinase-2 (CDK2) has become a potential target for cancer therapy. Here we describe the design, synthesis and antitumor activities in vitro of eleven new betulin nitrates. The results revealed that compound (20) possesses potent antitumor activity against MCF-7 cell lines (IC50 < 10 μM). In order to investigate potential protein target, betulin nitrates were subjected to docking studies with CDK2. Compound (20) showed very good binding affinity for CDK2 via hydrogen bonding interactions. Thus, the CDK2 inhibitory potential could make compound (20) possible candidate as antitumor agent.

Keywords

EN

Molecular docking; anti-tumor; Betulin nitrates; NO donors

• Journal: Acta Poloniae Pharmaceutica - Drug Research
• Year: 2018
• Volume: 75
• Issue: 5
• Pages: 1135-1145

Dates

published

2018-10-31

Contributors

author

GaiLi Feng

author

Tao Wang

author

Rong Zhang

author

Jin Luo

author

MinJie Xiao

author

BaoEn He

author

YongQian Liu

author

JunXiao Wu

Identifiers

DOI

10.32383/appdr/81731