Antifungal agent 124

Antifungal agent 257 (Compound 7e) binds with F.graminearum 14-α demethylase , forming the hydrogen bond and hydrophobic interaction which favors the fungicidal activity.^[1].
Antifungal agent 257 against A. solani, Botrytis cinereal, C. arachidicola, F. graminearum, S. sclerotiorum at 50 μg/mL with EC₅₀s of 4.02μg/mL, 6.03μg/mL, 4.15μg/mL and 3.81 μg/mL respectively, showing a broad fungicidal spectrum^[1].
Antifungal agent 257 inhibits F. graminearum14-α-demethylase with an IC₅₀ value of 0.59 μM, showing a higher inhibitory activity than Flutriafol (HY-W019852)^[1].
Antifungal agent 257 can form hydrogen-bond interactions with F. graminearum 14-α demethylase for most of the time during the simulation^[1].
The ΔG_Total value of F. graminearum 14-α demethylase with Antifungal agent 257 (−55.45 kcal/mol) is significantly lower than that of the flutriafol (−18.05 kcal/mol), implying that Antifungal agent 257 against the F. graminearum 14-α demethylase is more active than flutriafol^[1].
Antifungal agent 257 interacs with in F. graminearum 14-α demethylase at Tyr105, Phe113, Val118, Ile359, Ile362, His447 Leu126, Met284, Thr287, Leu228, Ala291, Cys449, and Ile450residues^[1].
Antifungal agent 257 has minimal or no toxicity to mammals^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.