Topical antifungal keratitis therapeutic potential of Linn. flower extract: phytochemical profiling, modelling, and biological activity assessment.

Introduction: Fungal keratitis (FK) poses a severe threat to vision, potentially leading to blindness if not promptly addressed. flower extracts have a history of use in Ayurvedic and Indian traditional medicines, particularly for treating eye ailments. This study investigates the antifungal and antibiofilm effects of flower extracts on the FK clinical isolate . Structural details and key compound identification were analysed through FTIR and GC-MS.

Methods: The minimum inhibitory concentration (MIC) and minimum fungicidal concentration (MFC) of flower extracts were determined using broth dilution and well plate techniques. Biofilm inhibitory activity was assessed through microscopic evaluation, while anti-irritant and cytotoxic properties were evaluated using CAE-EI and MTT assays. Through GC-MS and FT-IR analysis the compounds dissolved in the extract and their functional group were studied, and their toxicity screening and pharmacokinetic prediction were conducted . Subsequently, compounds with high corneal permeability were further identified, and molecular docking and simulation studies at 150 ns were used to investigate their interactions with fungal virulence factors and human inflammatory proteins.

Results And Discussion: At a concentration of 250 µg/mL, the flower extract displayed effective biofilm inhibition. MIC and MFC values were determined as 500 and 1000 µg/mL, respectively. CAE-EI and MTT assays indicated no significant irritant and cytotoxic effects up to a concentration of 3 mg/mL. Compounds like 9,9-dimethoxybicyclo[3.3.1]nonane-2,4-dione showed high corneal permeability with strong and stable interactions with fungal virulence cellobiose dehydrogenase, endo β 1,4 xylanase, and glucanase, as well as corneal inflammation-associated human TNF-α and Interleukin IL-1b protein targets. The findings indicate that extracts from flowers could be formulated for an effective and safe alternative for developing new topical FK therapeutics.