Structure-based analysis of a natural GOT1-inhibitor Aspulvinone H
arrests pancreatic ductal adenocarcinoma cells growth
Abstract
Pancreatic ductal adenocarcinoma (PDAC) cells are Gln-metabolism
dependence, which can preferentially utilize glutamic oxaloacetate
transaminase 1 (GOT1) to maintain the redox homeostasis of cancer cells.
Therefore, small molecule inhibitors targeting GOT1 can be used as a new
strategy for developing cancer therapies. Here, we identified a
cyclobutyrolactone lignan, Aspulvinone H (AH), showing significant GOT1
inhibitory activity in vitro. The complex crystal structure of GOT1-AH
elucidated the molecular mechanism, which AH and the cofactor
pyrido-aldehyde 5-phosphate (PLP) competitively bound to the active
sites of GOT1. Structure-activity relationship (SAR) analysis exhibited
that the π-π stacking and isopentenyl side chain of aspulvinone were
related to the inhibition of GOT1 activity. Further biological study
indicated that AH could suppress glutamine metabolism, which made PDAC
cells sensitive to oxidative stress and inhibited cell proliferation.
Besides, AH exhibited potent in vivo antitumor activity in the SW1990
cell-induced xenograft model. These findings suggest that AH could be
considered as a promising lead molecule for the development of PDAC
anticancer agents.