Fungal Foe Unveiled: AlphaFold-based 3D structure prediction of Rhizopus delemar 1,3-β-Glucan synthase and virtual screening for the identification of potential inhibitors

Key Points

• Beta-glucan synthase from Rhizopus delemar shows potential targets for inhibitor development, aiming at fungal control.
• 3D structure prediction was performed using AlphaFold, providing insights into protein conformation and function.
• Virtual screening led to the identification of novel inhibitors, enhancing antifungal drug discovery efforts.
• Understanding the enzyme's structure may inform better antifungal treatments and drug design paths for clinical application.