In silico mapping of the dynamic interactions and structure-activity relationship of flavonoid compounds against the immune checkpoint programmed-cell death 1 pathway

Flavonoids are a class of natural products widely available in medicinal and dietary plants. Their pharmacological use has shown the potential to reduce the risk of different types of cancer, among other prevalent diseases. Their molecular scaffold inhibits the PD-1/PD-L1 axis, an important pathway...

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Bibliographic Details

Published in:	Frontiers in drug discovery Vol. 2
Main Authors:	Sartori, Geraldo Rodrigues, Albuquerque, Aline de Oliveira, Santos-Costa, Andrielly Henriques, Andrade, Luca Milério, Almeida, Diego da Silva, Gaieta, Eduardo Menezes, Sampaio, Jean Vieira, Albuquerque, Vitória Taiana de Melo Lima, Martins Da Silva, João Hermínio
Format:	Journal Article
Language:	English
Published:	Frontiers Media S.A 12.12.2022
Subjects:	binding mode flavonoids molecular dynamics simulation PD-1 PD-L1 structure-activity relationship
ISSN:	2674-0338, 2674-0338
Online Access:	Get full text
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