Discovery of novel inhibitors of ghrelin O-acyltransferase enzyme: an in-silico approach.

ABSTRACT:

Background and purpose

Ghrelin is known as a hunger hormone and plays a pivotal role in appetite, food intake, energy balance, glucose metabolism, and insulin secretion, making it a potential target for the treatment of obesity and type 2 diabetes. The essential maturation step of ghrelin to activate the GHS-R1a is the octanoylation of the Ser3, which is catalyzed by the ghrelin O-acyltransferase enzyme (GOAT) enzyme. Therefore, the inhibition of GOAT may be useful for treating ghrelin-related diseases.

Experimental approach

To discover the novel inhibitors against GOAT enzyme by a fast and accurate computational method, here, we tried to develop the homology model of GOAT. Subsequently, the generated model was stabilized by molecular dynamics simulation. The consecutive pro

SUBMITTER: Hosseini FS 

PROVIDER: S-EPMC9661681 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature