In silico investigation of lavandulyl flavonoids for the development of potent fatty acid synthase-inhibitory prototypes.

ABSTRACT:

Background

Inhibition of fatty acid synthase (FAS) is regarded as a sensible therapeutic strategy for the development of optimal anti-cancer agents. Flavonoids exhibit potent anti-neoplastic properties.

Methods

The MeOH extract of Sophora flavescens was subjected to chromatographic analyses such as VLC and HPLC for the purification of active flavonoids. The DP4 chemical-shift analysis protocol was employed to investigate the elusive chirality of the lavandulyl moiety of the purified polyphenols. Induced Fit docking protocols and per-residue analyses were utilized to scrutinize structural prerequisites for hampering FAS activity. The FAS-inhibitory activity of the purified flavonoids was assessed via the incorporation of [³H] acetyl-CoA into palmitate.

Results</

SUBMITTER: Oh J 

PROVIDER: S-EPMC5918680 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature