In silico prediction of MMP-2 pathway related to anticancer effects of Sterculia foetida L.

Context: Matrix metalloproteinase-2 (MMP-2) is a protein found in tumor cells and is important in breast cancer spread and development. Natural substances like quercetin, cardenolide, epicatechin, coumarin, and anthraquinone have been studied for their ability to block MMP-2 activity, which may lead to lower tumor invasiveness and reduced spread. These bioactive compounds present potential treatment options for targeting MMP-2 and slowing down the progress of breast cancer. Aims: To determine the mechanism of MMP-2 inhibition by active compounds of Sterculia foetida L that have the potential therapy for breast cancer. Methods: This research uses an in silico method with molecular docking. A low binding affinity value also indicates a more stable binding potential compared to a higher binding affinity value. Results: From the bioavailability results using molecular docking method to compare binding affinity values, using Biovia discovery studio visualizer application, Autodock tools, command prompt, and Ligplot. PubChem, RCSB-PDB, and PASS online tests also showed the highest binding affinity for the active compound quercetin (-8.7 kcal/mol). In the results of the toxicity test, epicatechin compounds have the highest toxic level of 2, while cardenolide has the lowest toxic level of 6 have the potential to inhibit MMP-2. Conclusions: It can be concluded that the five active compounds of S. foetida could be used as breast anticancer agents, which could be consumed as oral medication.