PMID- 36250007
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20221019
IS  - 2296-889X (Print)
IS  - 2296-889X (Electronic)
IS  - 2296-889X (Linking)
VI  - 9
DP  - 2022
TI  - Dipeptidyl peptidase-4 inhibitory potentials of Glycyrrhiza uralensis and its 
      bioactive compounds licochalcone A and licochalcone B: An in silico and in vitro 
      study.
PG  - 1024764
LID - 10.3389/fmolb.2022.1024764 [doi]
LID - 1024764
AB  - Type 2 diabetes mellitus (T2DM) is a growing global public health issue, and 
      dipeptidyl peptidase-4 (DPP-4) is a potential therapeutic target in T2DM. Several 
      synthetic anti-DPP-4 medications can be used to treat T2DM. However, because of 
      adverse effects, there is an unmet demand for the development of safe and 
      effective medications. Natural medicines are receiving greater interest due to 
      the inherent safety of natural compounds. Glycyrrhiza uralensis (licorice) is 
      widely consumed and used as medicine. In this study, we investigated the 
      abilities of a crude water extract (CWE) of G. uralensis and two of its 
      constituents (licochalcone A (LicA) and licochalcone B (LicB)) to inhibit the 
      enzymatic activity of DPP-4 in silico and in vitro. In silico studies showed that 
      LicA and LicB bind tightly to the catalytic site of DPP-4 and have 11 amino acid 
      residue interactions in common with the control inhibitor sitagliptin. 
      Protein-protein interactions studies of LicA-DPP4 and LicB-DPP4 complexes with 
      GLP1 and GIP reduced the DPP-4 to GLP1 and GIP interactions, indicated that these 
      constituents might reduce the degradations of GLP1 and GIP. In addition, 
      molecular dynamics simulations revealed that LicA and LicB stably bound to DPP-4 
      enzyme. Furthermore, DPP-4 enzyme assay showed the CWE of G. uralensis, LicA, and 
      LicB concentration-dependently inhibited DPP-4; LicA and LicB had an estimated 
      IC(50) values of 347.93 and 797.84 muM, respectively. LicA and LicB inhibited 
      DPP-4 at high concentrations, suggesting that these compounds could be used as 
      functional food ingredients to manage T2DM.
CI  - Copyright (c) 2022 Shaikh, Ali, Lim, Chun, Ahmad, Ahmad, Hwang, Han, Kim, Lee and 
      Choi.
FAU - Shaikh, Sibhghatulla
AU  - Shaikh S
AD  - Department of Medical Biotechnology, Yeungnam University, Gyeongsan, South Korea.
AD  - Research Institute of Cell Culture, Yeungnam University, Gyeongsan, South Korea.
FAU - Ali, Shahid
AU  - Ali S
AD  - Department of Medical Biotechnology, Yeungnam University, Gyeongsan, South Korea.
AD  - Research Institute of Cell Culture, Yeungnam University, Gyeongsan, South Korea.
FAU - Lim, Jeong Ho
AU  - Lim JH
AD  - Department of Medical Biotechnology, Yeungnam University, Gyeongsan, South Korea.
AD  - Research Institute of Cell Culture, Yeungnam University, Gyeongsan, South Korea.
FAU - Chun, Hee Jin
AU  - Chun HJ
AD  - Department of Medical Biotechnology, Yeungnam University, Gyeongsan, South Korea.
FAU - Ahmad, Khurshid
AU  - Ahmad K
AD  - Department of Medical Biotechnology, Yeungnam University, Gyeongsan, South Korea.
AD  - Research Institute of Cell Culture, Yeungnam University, Gyeongsan, South Korea.
FAU - Ahmad, Syed Sayeed
AU  - Ahmad SS
AD  - Department of Medical Biotechnology, Yeungnam University, Gyeongsan, South Korea.
AD  - Research Institute of Cell Culture, Yeungnam University, Gyeongsan, South Korea.
FAU - Hwang, Ye Chan
AU  - Hwang YC
AD  - Department of Medical Biotechnology, Yeungnam University, Gyeongsan, South Korea.
FAU - Han, Ki Soo
AU  - Han KS
AD  - Neo Cremar Co., Ltd., Seoul, South Korea.
FAU - Kim, Na Ri
AU  - Kim NR
AD  - Neo Cremar Co., Ltd., Seoul, South Korea.
FAU - Lee, Eun Ju
AU  - Lee EJ
AD  - Department of Medical Biotechnology, Yeungnam University, Gyeongsan, South Korea.
AD  - Research Institute of Cell Culture, Yeungnam University, Gyeongsan, South Korea.
FAU - Choi, Inho
AU  - Choi I
AD  - Department of Medical Biotechnology, Yeungnam University, Gyeongsan, South Korea.
AD  - Research Institute of Cell Culture, Yeungnam University, Gyeongsan, South Korea.
LA  - eng
PT  - Journal Article
DEP - 20220930
PL  - Switzerland
TA  - Front Mol Biosci
JT  - Frontiers in molecular biosciences
JID - 101653173
PMC - PMC9564220
OTO - NOTNLM
OT  - Glycyrrhiza uralensis
OT  - dipeptidyl peptidase-4
OT  - licochalcone A
OT  - natural compounds
OT  - type 2 diabetes mellitus
COIS- KSH and NRK were employed by the company Neo Cremar Co., Ltd. The remaining 
      authors declare that the research was conducted in the absence of any commercial 
      or financial relationships that could be construed as a potential conflict of 
      interest.
EDAT- 2022/10/18 06:00
MHDA- 2022/10/18 06:01
PMCR- 2022/01/01
CRDT- 2022/10/17 05:32
PHST- 2022/08/22 00:00 [received]
PHST- 2022/09/13 00:00 [accepted]
PHST- 2022/10/17 05:32 [entrez]
PHST- 2022/10/18 06:00 [pubmed]
PHST- 2022/10/18 06:01 [medline]
PHST- 2022/01/01 00:00 [pmc-release]
AID - 1024764 [pii]
AID - 10.3389/fmolb.2022.1024764 [doi]
PST - epublish
SO  - Front Mol Biosci. 2022 Sep 30;9:1024764. doi: 10.3389/fmolb.2022.1024764. 
      eCollection 2022.