Abstract: In order to explore the possible active components and mechanisms of “natural plant antimicrobial solutions” (PAMs) produced by Yunnan Pu’er Danzhou Pharmaceutical Co., Ltd. for SARS-CoV-2, the chemical components coming from the medicinal plants of PAMs and their drug targets were searched using TCMSP, BATMAN and YaTCM databases. The disease targets for coronavirus were obtained through the GeneCards database. Cytoscape mapping was applied to construct the “medicinal plant-component-target-disease” network and potential targets in PPI network. GO and KEGG enrichment analysis were utilized to predict the possible mechanism of PAMs. The main active components of PAMs were molecularly docked with the key proteins of SARS-CoV-2. Finally, M13 bacteriophages were used as the virus model for determination of the inhibitory effect of PAMs on virus. A total of 166 kinds of active components of PAMs, 1007 kinds of drug targets, and 73 kinds of drug-coronavirus interaction targets were obtained. PTGS2, PTGS1, PPARG, DPP4, CALM1, CASP3, RELA and BAX were found to have target degrees greater than 10 in the medicinal plant-component-target-disease network. A total of 2109 entries were obtained by GO enrichment analysis, which were mainly involved in the regulations of cytokines, protein phosphorylation, and immunity. KEGG was enriched to 144 signaling pathways, and the top five were human cytomegalovirus infection, TNF, Kaposi’s sarcoma-associated herpesvirus infection, influenza A, and hepatitis B. The results of molecular docking showed that luteolin, quercetin and baicalein had strong binding ability to 3CL hydrolase (Mpro) and spike glycoprotein of SARS-CoV-2 while baicalein, myricetin, and quercetin had strong binding ability to angiotensin converting enzyme (ACE2). At concentration of 20%, PAMs could inhibit the growth of M13 to over 99%. In conclusion, PAMs might act on SARS-CoV-2 through multiple components, targets and pathways. The active components of quercetin, baicalein, and luteolin of PAMs mainly came from safflower and comfrey had lower binding free energy for Mpro, ACE2 and spike glycoprotein, indicating its possible adjuvant and therapeutic effects on COVID-19.

Key words: natural plant antimicrobial solution (PAMs), network pharmacology, SARS-CoV-2, M13 phage