In Silico Prediction and In Vitro Cytotoxic Activity of Arbuscular Mycorrhizal Fungi Induced Zingiber officinale Var. Rubrum

Abstract

Objective: Ginger (Zingiber officinale) has various medicinal properties, including anti-inflammatory, antioxidant, anti-nausea/antiemetic, antibacterial, cytotoxic, and antidiabetic activities. Methods: In silico analysis was performed to predict absorption, distribution, metabolism, and excretion (ADME). Prediction of bond and bond free energy using Autodock Vina, MGL Tools and Biovia Discovery Studio. Gingerol content of Ginger-Ethanolic Extract (MGE) was determined by thin-layer chromatography densitometry and cytotoxic activity by MTT assay. Results : The Gibbs free energy value for 6-Gingerol is -7.686 (kcal/mol), and 6-Shogaol is -7.279 (kcal/mol). Prediction of hydrogen bonding at 6-Gingerol in the amino acids Arg394, Glu353, Ala350. Hydrogen bonding in shogaol on the amino acid Arg394. Statistical analysis showed that the MGE could significantly inhibit breast cancer cells T47D growth (P< 0.05) with IC50 was 16.51 ± 3.67 μg/mL. Conclusion : Based on in silico and in vitro screening Zingiber officinale var. Rubrum has the potential to be developed for anticancer treatment.