Structure-based discovery of a new type of scaffold compound as binding competitors for protein-bound Uremic Toxins

Structure-based discovery of a new type of scaffold compound as binding competitors for protein-bound Uremic Toxins

Abstract Protein-bound uremic toxins (PBUTs) are the main cause of uremia, but traditional hemodialysis is ineffective in removing them because of their strong ability to bind to human serum albumin (HSA), highlighting the need for new treatments. In this study, first, structure-based docking was us...

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Bibliographic Details
Main Authors: Ping Wang, Shasha Liu, Shengtian Zhao, Yan Wang
Format: Article
Language:English
Published: Nature Portfolio 2024-11-01
Series:Scientific Reports
Subjects:
Virtual screening
Molecular dynamics simulation
Protein-bound uremic toxins
Binding competitors
CKD
Online Access:https://doi.org/10.1038/s41598-024-78766-9

Internet

https://doi.org/10.1038/s41598-024-78766-9

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