MOLECULAR DOCKING ANALYSIS OF COMPARISON BETWEEN INDOLE ALKALOID COMPOUNDS FROM CATHARANTHUS ROSEUS WITH THE TARGETS FOR BREAST CANCER

Endocrine-disrupting chemicals are environmental pollutants that have been associated with a wide range of diseases, including breast cancer, the most prevalent cancer in women worldwide, according to the WHO. Among the different cancers affecting the female population, breast cancer has the highest incidence and mortality rate. The incidence of breast cancer is 100 times higher in women than in men. The incidence of breast cancer is alarmingly high, so the need for a novel approach with fewer side effects is currently needed to improve the quality of life of the patients. Catharanthus roseus is a plant species belonging to the Apocynaceae family that is used worldwide in phytotherapy. The indolic alkaloids (vincristine and vinblastine) isolated from C. roseus are approved and used in clinical trials. The interest of the study lies in the comparison of indole alkaloids (vincristine and vinblastine) against breast cancer targets through in-silico studies. The work of the study lies upon downloading target and ligand. The targets that are associated with breast cancer were downloaded from PDB. The ligands (vincristine and vinblastine) were downloaded from PubChem. To compare and calculate ADMET properties and drug-likeliness for vincristine, vinblastine, and the reference drug (paclitaxel), Molecular interaction of cancer targets with vincristine and vinblastine. Based on the results, vinblastine has a greater and better number of binding affinities towards breast cancer proteins. From the analysis, it says that vinblastine has a better potential to treat breast cancer.