Exploring Natural Compounds Targeting PD-L1 and STAT3: Toxicogenomic Analysis, Virtual Screening, Molecular Docking, ADMET Evaluation, and Biological Activity Prediction.

Fuat Karakuş Burak Kuzu Sedat Köstekci Yasin Tülüce

Published in: Current computer-aided drug design (2024)

This finding could pave the way for the development of small molecules designed to block the PD-1/PD-L1 interaction by silencing the PD-L1 and/or STAT3 genes or reducing protein levels.

Keyphrases

molecular docking
molecular dynamics simulations
cell proliferation
genome wide
cancer therapy
gene expression
dna methylation
binding protein