In vitro and in silico antiviral activity of Polyscias scutellaria leaf extract against drug-susceptible and drug-resistant herpes simplex virus and human papillomavirus-positive cervical cancer: implications for topical formulation development

Abstract

Highlights • Polyscias scutellaria leaf extract significantly inhibited drug-resistant HSV-1, and HPV-16 pseudovirus infections.• P. scutellaria fresh leaf ethanolic extract significantly downregulated HPV-16 E6, BCL2 and NFKB1, while upregulating BAX mRNA expression.• Most of the 20 metabolites with the highest relative peak areas detected in both positive- and negative-ion modes by ESI-QTOF-MS were predicted to possess favorable drug-like properties and were classified as toxicity Class ≥ 4.• A soap containing P. scutellaria fresh leaf ethanolic extract significantly reduced drug-resistant HSV-1 infection and HPV-16/18 E6 expression.• Molecular docking analysis predicted that cinchonine and aphyllic acid, identified in P. scutellaria fresh leaf ethanolic extract, have potential binding affinities toward HSV-1 gD, HSV-1 DNA polymerase, HPV-16 L1, and HPV-16 E6.