Characterization and evaluation ethyl acetate extract of melochia corchorifolia leaf- anticancer antibiological and molecular docking studies on breast cancer estrogen receptor

Abstract

The present work focused on Phytochemical screening, characterization, anticancer activity and antibiological activity of ethyl acetate extract of Melochia corchorifolia leaves followed by molecular docking studies have been carried out. The plant leaves have been collected, weighed, and extracted with the soxhlet apparatus by using ethyl acetate solvent and then extracted are subjected to phytochemical screening.  Antibiological activity of plant leaves ethyl acetate extract has been tested against six bacterial and two fungal strains using agar well diffusion methodology. The characterization of phytoconstituents compounds has been carried out using various spectroscopy method such as GC-MS (Gas chromatography Mass spectroscopy), UV-visible and Fourier-transform infrared. Auto dock tool (4.2.0) is used for molecular docking studies. The phytochemical analysis of Melochia corchorifolia ethyl acetate leaves, reveals the existence of carbohydrates, glycosides, triterpenes flavonoids and alkaloids. Antimicrobial activity is effective against gram-positive bacterial strains namely Staphylococcus aureus (17 mm), Bacillus subtilis (16 mm), the gram-negative bacterial strains namely Salmonella typhi (15 mm) and E. coli (14 mm). Moreover, the extract is also found to be effective against Aspergillus Niger (18 mm) fungal species. The GC-MS and FT-IR analysis show bioactive compounds and their functional groups. UV-VIS analysis results reveal that the presence of phytoconstituents derivatives in the range between 206-350 nm. The cytotoxicity activity for the MCF-7 cell line shows that the drug efficacy IC50 value is 148.836 (μg/mL). Further, the predicted bioactive compounds are docked with the cancer estrogen protein receptor (PDB ID: 3s7s) with ligand martidin-15 one shows the highest binding affinity. The study reveals the potential of Melochia corchorifolia leaves ethyl acetate extract showed antibiological and anticancer activity.