抄録
The relationship between antifungal activity and the energy of the lowest unoccupied molecular orbital (LUMO) of several phenolic compounds was examined using MINDO/3 method. Among the phenols examined, all the compounds which are highly active in inhibiting the growth of fungi possess a low-lying LUMO as compared with the compounds poor in antifungal activity. From these results, it is conceivable that the LUMO energy of a molecule should be one of the useful indices for screening antifungal drugs.
