Exploring Erythrina flavonoids as potential SARS-CoV-2 RdRp inhibitors through virtual screening, in silico ADMET evaluation, and molecular dynamics simulation studies

Abstract The COVID-19 pandemic, caused by SARS-CoV-2, has intensified the search for effective antiviral agents. This study investigates the inhibitory potential of 473 flavonoids from the genus Erythrina against the key enzyme of SARS-CoV-2, RNA-dependent RNA polymerase (RdRp). Virtual screening ca...

Полное описание

Библиографические подробности

Главные авторы:	Tati Herlina, Vicki Nishinarizki, Abd. Wahid Rizaldi Akili, Ari Hardianto, Shabarni Gaffar, Muchtaridi Muchtaridi, Jalifah Latip
Формат:	Artigo
Язык:	Inglês
Опубликовано:	Nature Portfolio 2025-04-01
Серии:	Scientific Reports
Предметы:	Flavonoids Erythrina RNA-dependent RNA polymerase (RdRp) Structure-based bioinformatics ADMET
Online-ссылка:	https://doi.org/10.1038/s41598-025-97311-w
Метки:	Добавить метку Нет меток, Требуется 1-ая метка записи!