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Identification of potential immunomodulators from Pulsatilla decoction that act on therapeutic targets for ulcerative colitis based on pharmacological activity, absorbed ingredients, and in-silico molecular docking.

Li-Rong DengQian HanMin ZouFang-Jun ChenChang-Yin HuangYi-Ming ZhongQian-Yan WuBrian TomlinsonYan-Hong Li
Published in: Chinese medicine (2022)
We revealed for the first time that 11 absorbed ingredients from BTWT were immunomodulators against therapeutic targets for UC. These findings suggest that the identified compounds are the active components of BTWT, and the identified protein targets underlie the mechanism of action of BTWT against UC.
Keyphrases
  • molecular docking
  • ulcerative colitis
  • molecular dynamics simulations
  • single cell
  • protein protein
  • amino acid
  • binding protein
  • small molecule