Synthesis, Computational Studies, and Biological Evaluation of Chalcones as Antifungal Agents

Background: Chalcone-based compounds display potential antifungal activity. They are considered to be versatile pharmacophores that can be utilized for the designing and development of numerous bioactive lead compounds. In this work, some new chalcone derivatives were synthesized, which are expected to possess antifungal activity, making them potentially useful for treating fungal infections. Objective: The rate at which fungi develop resistance to antifungals is outpacing the discov-ery of new antifungal classes. Developing new compounds with the same behavior but im-proved pharmacological action has proven to be a significant challenge for Scientists. There-fore, discovering novel drugs is crucial for combating health problems and enhancing the quality of human life. For this reason, in this study, we synthesized new chalcones and eval-uated their antifungal activity. Methods: In the initial phase, in silico studies were employed to predict the physicochemical properties and biological activities of chalcone derivatives. A new series of chalcones was synthesized using synthetic methodologies, and characterization techniques, such as spec-troscopy and chromatography, were employed to confirm the identity and purity of the com-pounds. The antifungal potential of chalcones was checked by the zone inhibition method (Kirby-Bauer method) using Candida albicans and Candida Parapsilosis strains. Subse-quently, molecular docking against fungal targets was performed to elucidate the binding interactions, providing valuable insights into the structure-activity relationship, and cyto-toxicity studies were performed to assess the potential toxicity of these compounds. Results: The target compounds (Ca-Ce) were successfully synthesized and characterized by spectroscopic and analytical methods. The findings from the computational properties and activity against fungal stains like Candida albicans and Candida Parapsilosis revealed that the newly synthesized chalcones exhibit significant antifungal potential. Conclusion: The newly synthesized chalcones, especially Cc and Ce, exhibited antifungal activity nearly equivalent to that of standard drugs