Phytochemical Profiling and Molecular Docking studies of Orange and Pomegranate Fruit Peel Against Cervical Cancer
Year: 2024
Type: article
Abstract: The peel of orange and pomegranate fruits are discarded as waste, even though they have many phytoconstituents of therapeutic value. In order to reduce the agro-wastes generated after the use of these fruits and to find a new therapeutic application of the peel, this work was undertaken to give a profile of the phytochemicals present in the peel and to find their efficacy against cervical cancer caused by Human Papilloma Virus through molecular docking studies. FTIR and GC-MS spectra of the extracts helped identify and profile the phytochemicals present in the peel extract. As predicted by PASS software, d-limonene and o-Cymene–phytochemicals- showed therapeutic potential and were chosen for docking studies. ADME properties of both compounds were analyzed to evaluate their suitability as a drug. Molecular docking was performed to study the protein-ligand interactions of D-limonene and o-Cymene with target proteins E6 and E7 of the Human Papilloma Virus. Imiquimod, a synthetic medicine for cervical cancer, was used as a control. Both D-limonene and o-Cymene showed binding affinities comparable to the control drug's. The results suggested that they could be a promising natural remedy for cervical cancer after further investigation
Language: English
Topic: Medicinal Plant Research
Subfield: Plant Science
Domain: Life Sciences
Open Access status: diamond
OpenAlex ID: W4406288095