Targeting Breast Adenocarcinoma with Grangea maderaspatana Natural Compounds: A Molecular Docking and Pharmacokinetic Study.

Abstract

Millions of women worldwide have breast cancer, a common and possibly fatal illness according to WHO Reports. A genetic mutation usually causes breast adenocarcinomas. Only 5-10% of cancers are induced by genetic mutations that develop with age, and the "wear and tear" of general life causes 85-90% of breast cancers. There are not many FDA-approved treatments available on the market right now, but those that have extreme toxicity and side effects restrict their use. Consequently, it is essential to use alternative medications to prevent breast cancer. The Grangea maderaspatana plant has a variety of natural chemicals that have been selected for their therapeutic characteristics. These properties include cytotoxicity, antispasmodic, anti-inflammatory, sedative, anti-flatulent, antipyretic, antidiarrheal, antioxidant, estrogenicity, and anti-implantation activity. The whole plant has been used in folk medicine since the classical era to treat an assortment of illnesses. However, using molecular docking, we evaluated the interactions between the natural substances of Grangea maderaspatana and the breast adenocarcinoma receptor (PDB-1M17). Two reference medications, anastrozole and tamoxifen, are utilized to investigate drug similarity and comparability. The compound - (-) Frullanolide has showed aromatase inhibitor (estrogen blocker) efficacy as tamoxifen and anastrozole, which is utilized in the treatment of breast cancer. Given their favorable pharmacokinetics (ADMET) characteristics, the majority of these substances show promise as therapeutic candidates for breast adenocarcinoma. The findings from this research could aid in the development of new and efficient treatment options for breast cancer, potentially improving patient outcomes and standards of living.