TY - JOUR
T1 - Glycerol is Released from a New Path in MGL Lipase Catalytic Process
AU - Lan, Dongming
AU - Li, Shu
AU - Tang, Wei
AU - Zhao, Zexin
AU - Luo, Mupeng
AU - Yuan, Shuguang
AU - Xu, Jun
AU - Wang, Yonghua
N1 - Publisher Copyright:
© 2021 American Chemical Society.
PY - 2022/5/9
Y1 - 2022/5/9
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85121218234&partnerID=8YFLogxK
U2 - 10.1021/ACS.JCIM.1C00708
DO - 10.1021/ACS.JCIM.1C00708
M3 - Article
C2 - 34873908
AN - SCOPUS:85121218234
SN - 1549-9596
VL - 62
SP - 2248
EP - 2256
JO - Journal of Chemical Information and Modeling
JF - Journal of Chemical Information and Modeling
IS - 9
ER -