In Silico Analysis of Pyeongwi-San Involved in Inflammatory Bowel Disease Treatment Using Network Pharmacology, Molecular Docking, and Molecular Dynamics.

Chang-Hwan BaeHee-Young KimJi Eun SeoHanul LeeSeungtae Kim

Published in: Biomolecules (2023)

Present in silico analysis revealed potential pathways and insight of PWS to regulate IBD. These results imply that the therapeutic effect of PWS might be achieved via an inhibitory effect.

Keyphrases

molecular docking
molecular dynamics
molecular dynamics simulations
density functional theory
single cell
combination therapy