Monomethyl Suberate Screening for Antifungal Activity, Molecular Docking and Drug-Like Properties

Abstract

Antifungal activity of suberic acid monomethyl ester (monomethyl suberate) was investigated in a growth inhibition assay comprising of 11 different fungi and 3 Phytophthora oomycetes strains relevant in agriculture. In comparison to standard antifungal hymexazol, monomethyl suberate showed moderate antifungal effects at a concentration range of 100 – 300 µg/mL. Alternaria alternata, Fusarium equiseti, Fusarium fujikuroi and Phytophtora infestans GL-1 were the most sensitive fungi showing inhibition rates up to 100 %. Physico-chemical descriptors of monomethyl suberate revealed its low toxicity profile. Molecular docking analysis comprising several known antifungal targets points to the N-myristoyltransferase as the most probable site of interaction.

Keywords

• monomethyl suberate
• antifungal activity
• molecular docking
• drug-like properties