In Vitro and In Silico Pharmacological Study of Three Combined Lamiaceae Essential Oils: Cytotoxicity and Antiviral Potential

Abstract

This study investigated the in vitro and in silico anticancer and antiviral potential of three Lamiaceae essential oils (EOs), Rosmarinus officinalis (REO), Salvia officinalis (SEO), and Mentha × piperita (MEO). The essays included both Eos tested individually and in combination. Cytotoxicity was assessed in normal dermal fibroblast (NHDF), breast (MCF7), lung (A549), and colorectal (LoVo) cell lines. Antiviral activity was evaluated against herpes simplex virus type 1 (HSV-1) and adenovirus type-5 (AdV-5). Major identified compounds were subjected to in silico analysis against selected cancer- and virus-related protein targets. None of the EOs or their combinations showed cytotoxicity toward NHDF cells. REO exhibited significant anticancer activity against MCF7 and A549 cells, while SEO displayed the greatest antiproliferative effect on MCF7 cells. MEO showed moderate activity against MCF7 cells and weak activity against A549 cells. All EOs and combinations showed limited efficacy against LoVo cells. Combined EOs were more effective against A549 cells, showing synergism for REO combinations, whereas lower activity was noted against MCF7 cells, where the MEO + SEO combination exhibited an antagonistic effect. All EOs and their combinations effectively reduced HSV-1 and AdV-5 titers. In silico results confirmed the binding affinities between the major EO compounds and selected protein targets, supporting their potential as complementary therapeutic agents.