Molecular Docking Studies of Phyllanthus niruri Root Phytoconstituents for Antibreast Cancer Activity Using Multiple Proteins.

Abstract

The systematic exploitation of the structural variety of natural products is made possible by docking studies, which have been shown to be a crucial technique. The objective of the current work was to use molecular docking studies with different proteins to identify acceptable and efficient compounds from root phytoconstituents of Phyllanthus niruri plant. Numerous human disorders have been treated using Phyllanthus niruri. Antioxidant, antibacterial, antifungal, anti-inflammatory, antipyretic, antimalarial, antiviral, immunomodulatory, antidepressant, anticonvulsant, antinociceptive, anti-ulcer, anti-arthritic, anticancer, hyperlipidemia, and antifertility were only a few of its many pharmacological effects. One of the most prevalent malignancies in women worldwide, breast cancer is one of the leading causes of mortality worldwide. The most successful breast cancer treatments now on the market have negative side effects and are useless in people. In order to develop drugs, molecules with such a framework have been utilized as the lead. Schrodinger Maestro (v13.0) software was used to conduct a molecular docking analysis of root components with certain proteins linked to the illnesses. In comparison to commercially available conventional medications, molecular docking data also demonstrated greater scores. Dacarbazine's ability to treat cancer was utilized as benchmark to assess the in silico outcomes and grading of virtual screening or molecular docking.