Molecular Docking Evaluation of Syzygium aromaticum Isolated Compounds Against Exo-β-(1,3)-glucanases of Candida albicans
Mohammed H. F. Shalayel, Ghassab Mohammad Al-Mazaideh, Farhan Khashim Al Swailmi, Saleem Hmoud Aladaileh, Saada Mohamed Nour, Akef T. Afaneh, Ali Marashdeh · Journal of Pharmaceutical Research International · 2021
Seventeen compounds from Syzygium aromaticum are selected for exo-β-(1,3)-glucanases inhibitory activity by using molecular docking study. The compounds are uploaded from the PubChem database and molecular docking with AutoDock 1.5.6 tools is carried out. The molecular docking scores indicate that stigmasterol and campesterol are of the highest potentials, and approximately have similar binding affinities with Candida albicans' active site (3N9K, 3O6A). The hydroxyl moiety has played an important role in the antifungal potentiality of all studied compounds.