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Antifungalagent 257 (Compound 7e) is a broad-spectrum antifungal agent with an EC50 value of 4.15 μM against F. graminearum.
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Description | Antifungalagent 257 (Compound 7e) is a broad-spectrum antifungal agent with an EC50 value of 4.15 μM against F. graminearum. |
In vitro | Antifungal agent 257 is an inhibitor of Fusarium graminearum 14-α-demethylase, with an IC₅₀ value of 0.59 μM, showing significantly greater inhibitory activity than fluconazole phosphate [1]. Throughout most of the simulation process, Antifungal agent 257 interacts with Fusarium graminearum through hydrogen bonding [1]. The ΔG Total for Antifungal agent 257 with 14-α-demethylase is −55.45 kcal/mol, considerably lower than that of fluconazole, which is −18.05 kcal/mol, indicating higher activity against the enzyme [1]. Antifungal agent 257 interacts with the enzyme at residues Tyr105, Phe113, Val118, Ile359, Ile362, His447-Leu126, Met284, Thr287, Leu228, Ala291, Cys449, and Ile450 [1]. It exhibits minimal to no toxicity to mammals [1]. |
Molecular Weight | 608.444 |
Formula | C26H21Cl2F2N5O4S |
Storage | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice. |
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