Glycerol is Released from a New Path in MGL Lipase Catalytic Process

J Chem Inf Model. 2022 May 9;62(9):2248-2256. doi: 10.1021/acs.jcim.1c00708. Epub 2021 Dec 7.

Abstract

Traditionally, it is believed that the substrate and products of a monoacylglycerol lipase (MGL) share the same path to enter and exit the catalytic site. Glycerol (a product of MGL), however, was recently hypothesized to be released through a different path. In order to improve the catalytic efficacy and thermo-stability of MGL, it is important to articulate the pathways of a MGL products releasing. In this study, with structure biological approaches, biochemical experiments, and in silico methods, we prove that glycerol is released from a different path in the catalytic site indeed. The fatty acid (another product of MGL) does share the same binding path with the substrate. This discovery paves a new road to design MGL inhibitors or optimize MGL catalytic efficacy.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Catalysis
  • Catalytic Domain
  • Glycerol*
  • Lipase / metabolism
  • Monoacylglycerol Lipases* / chemistry
  • Monoacylglycerol Lipases* / metabolism

Substances

  • Monoacylglycerol Lipases
  • Lipase
  • Glycerol