on COVID-19 via anti-viral, anti-inflammatory and metabolic programming. • 9 QFPD ingredients presented good molecular docking score for 2019-nCov. • SGMH, MXSG and Others are the top 3 efficient formula for COVID-19. Abstract Qingfei Paidu decoction (QFPD), a multi-component herbal formula, has been widely used to treat COVID-19 in China. However, its active compounds and mechanisms of action are still unknown. Firstly, we divided QFPD into five functional units (FUs) according to the compatibility theory of traditional Chinese medic