Mps1–Targeted Molecular Design of Melatonin for Broad-Spectrum Antifungal Agent Discovery
Huanyu Cai,
Jie Li,
Lu Ran
et al.
Abstract:Melatonin, a multifunctional class of natural products, has demonstrated antifungal activity, making it a promising candidate for developing antifungal agents. The mitogen-activated protein kinase (Mps1) within fungal pathogens has a target inhibitory effect of melatonin in fungi. We use a virtual screening strategy to design melatonin derivatives based on the melatonin-Mps1 targeting model. Of these, a multiflorane-substitution compound M-12 emerges as a potent antifungal agent, exhibiting broadspectrum effic… Show more
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