EVALUATION OF INTERACTIONS OF SILIBININ WITH THE PROTEINS ALS3 AND SAP5 AGAINST Candida albicans

Abstract

Introduction: Fungi of the genus Candida spp. are responsible for most invasive fungal infections. The number of clinical isolates resistant to antifungals like fluconazole is growing. In this context, herbal medicines are being studied for use alone or in combination with other drugs as alternatives to treat these infections. Among them is silibinin, a silymarin compound extracted from Silybum marianum, which has a wide range of therapeutic properties, such as anti-inflammatory, anti-fibrotic, hepatoprotective and antioxidant, as well as synergism with some antibiotics. Objective: To evaluate the molecular interaction of silibinin with the targets ALS3 and SAP5. Methodology: Molecular docking protocols were conducted to analyze the binding interaction of silibinin with ALS3 and SAP5. Results: Eleven interactions of ALS3 with silibinin and four with fluconazole were found, while six interactions were observed of SAP5 with silibinin and four with fluconazole. Conclusion: Molecular docking between silibinin and ALS3 identified important interactions, but no significant interactions were observed with SAP5, even though silibinin can exhibit affinity and interactions with other SAP5 sites.

Keywords: Silibinin, Fungal Infection, Candida spp., Molecular Docking, Adhesion Proteins.