In-silico and Cytoprotective Study of Ethanolic Extracts in Oil-bearing Rose (Rosa damascena Mill.) Flower Extracts

Abstract

Aim: To investigate the cytoprotective effects of ethanolic extracts from oil-bearing rose (Rosa damascena Mill.) using a combination of in silico modeling and in vitro assays. Study Design: The study involved a comprehensive analysis of the phytochemical composition of Rosa damascena extracts to identify key bioactive compounds. In silico modeling, including molecular docking and virtual screening, was conducted to predict interactions between these compounds and oxidative stress-related proteins. Human cancer cell lines: HeLa (cervical cancer), MCF-7 (breast cancer) and normal fibroblast cell line: NIH 3T3 were studied. Following this, in vitro assays were performed on human cell lines exposed to hydrogen peroxide to induce oxidative stress, assessing the cytoprotective effects of the extracts. Results: Ethanolic extracts of Rosa damascena Mill significantly reduced cellular damage and enhanced cell viability in the oxidative stress model. The presence of flavonoids and phenolic compounds, identified through phytochemical screening, correlated with these cytoprotective effects. Molecular docking results indicated strong interactions between key bioactive compounds and target proteins related to oxidative stress. Conclusion: Rosa damascena Mill extracts exhibit substantial cytoprotective properties, suggesting their potential as a natural agents for preventing and treating oxidative stress-related disorders. This study highlights the value of integrating traditional herbal knowledge with modern computational techniques, paving the way for future research on therapeutic applications of Rosa damascena Mill.