Phytocompound identification of aqueous <i>Zingiber officinale</i> rhizome (ZOME) extract reveals antiproliferative and reactive oxygen species mediated apoptotic induction within cervical cancer cells: an <i>in vitro</i> and <i>in silico</i> approach
Mohd Hasan Mujahid, Tarun Kumar Upadhyay, Vijay Jagdish Upadhye, Amit Baran Sharangi, Mοhd Saeed
Abstract
The prevalence of cervical cancer in women is in the fourth position among various other types of cancer globally. Many established therapies, including surgery, chemotherapy, and immunomodulation, are present, but high levels of side effects cause mortality and morbidity among the patients. Zingiber officinale rhizome (ZOME) has been potentially used to cure a variety of ailments and diseases. The aqueous ZOME extract also contains ample phytochemical constituents having anticancer effects on different cancers. The cell viability of HeLa cells was evaluated using MTT assay with IC50 at 97 µg/mL. Furthermore, a significant level of ROS generation causes the apoptosis of the cells. Nuclear staining dye DAPI and Hoechst 33342 showed DNA’s fragmented and condensed form. Propidium Iodide staining showed necrotic or late-apoptotic cells. While acidic organelle dye LysoTracker and MitoTracker dye along with dual staining showed significant results. In silico studies were carried out using identified phytochemicals from GC-MS analysis with pharmacokinetics properties (ADMET), and targeted toward receptor proteins for molecular docking. Ligands with high docked scores were subjected to molecular dynamics simulations at 310 K for 100 ns. In vitro and in silico investigations in our studies showed that aqueous ZOME extract can be used as an efficient therapy against cervical cancer treatment as it showed significant cytotoxic and antiproliferative effects toward the HeLa cell line.Communicated by Ramaswamy H. Sarma