Phytoconstituent Profiling and Antifungal Efficacy of Artemisia absinthium L.: Towards Sustainable Bio-Fungicide Development

Natural alternatives to synthetic fungicides are gaining prominence as the focus sharpens on developing protective products. In this regard, the present study aimed to discern the antifungal potential of Artemisia absinthium L., a traditional medicinal plant native to Kashmir, by identifying its key phytoconstituents. Here, we present the notable antifungal activity of the leaf extract of A. absinthium against Fusarium oxysporum, Penicillium digitatum, and Alternaria solani, as observed through in vitro tests. Further refinement of the extract through chromatography isolated fraction 4 (F4), unveiling 27 compounds with no prior literature on their occurrence in A. absinthium. Additionally, in silico molecular docking analysis revealed three compounds which include Bruceine B (1), Guanidine, (phenylmethyl)- (2) and Ethyl alpha-d-glucoside (3) as potent inhibitors of multiple target key fungal enzymes such as endopolygalacturonase, chitin deacetylase and 1, 3, 8-trihydroxynaphthalene. The virtual screening unveiled compounds 1–3 within fraction 4, displaying robust binding energy ranging from -8 to -5.8 kcal/mol with multiple target enzymes. Notably, their efficacy surpassed that of the reference commercial fungicide, benodanil. This study underscores the burgeoning interest in harnessing natural alternatives for fungicidal applications, highlighting the potential of A. absinthium as a valuable resource in the quest for sustainable and effective bio-fungicides.