Elucidation of anti-SARS-CoV-2 and anti-inflammatory bioactives in Qingyan Dropping Pills via integrated <i>in silico</i> screening and bioactivity validation.

ABSTRACT:

Background

The global outbreak of coronavirus disease (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has raised significant public health concerns. Qingyan Dropping Pills (QDP), as a recommended drug, is issued by the National Health Commission of the People's Republic of China for the treatment of COVID-19. However, its bioactive compounds and their mechanisms of action remain largely unidentified. In this study, the integration of computational and experimental approaches was performed to identify the bioactive compounds in QDP and elucidate its mechanisms against COVID-19.

Methods

Utilizing UPLC-Q/TOF-MS, the chemical compounds of QDP were delineated, followed by network pharmacology analysis and molecular docking targeting SARS-CoV-2

SUBMITTER: Liu L 

PROVIDER: S-EPMC12640959 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature