Screening of activators of 2,3-diphosphoglycerate mutase from traditional Chinese herb medicines.

ABSTRACT:

Objective

To screen activators of 2,3-diphosphoglycerate (BPG) mutase (BPGM) from Chinese herb medicines, so as to improve the hypoxia tolerance of erythrocytes.

Methods

BPGM was used as the receptor and Chinese medicine ingredients database was used as the ligand in the study. After Lipinski rule of five screening, LibDock and CDOCKER docking were used for virtual screening. The effect of the screened compounds on the affinity of BPGM in erythrocytes was verified. Finally, the erythrocytes were incubated in vitro to establish the erythrocyte hypoxia model, and the effect of the compound on the activity of BPGM in the erythrocyte hypoxia model was verified.

Results

Ten compounds with highest binding affinity to BPGM were selected by LibDock and CDOCKER, and the

SUBMITTER: Guo Q 

PROVIDER: S-EPMC10264992 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature