In silico analysis to explore the therapeutic potential of propolis-derived small molecules as matriptase inhibitors to suppress breast cancer growth and metastasis.

ABSTRACT: Breast cancer is a major cause of death in women, and various drug therapies are used for its treatment. However, current therapies have many side effects and limitations. Propolis, a resinous product of bee hives, possesses a variety of biological activities, including anticancer and chemo-protective properties. The present study aimed to investigate the potential suitability of propolis-derived compounds to inhibit matriptase (MT-SP1), a potential protein target for breast cancer treatment, through comprehensive computational analysis. The MT-SP1 protein structure (PDB ID: 1EAX) was retrieved, energy-minimized, and validated. Five propolis-derived compounds with the highest binding energies to MT-SP1 were selected after virtual screening. Molecular docking of these selected ligands revea

SUBMITTER: Azmi MB 

PROVIDER: S-EPMC12077683 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature