Ring-Modified Analogues and Molecular Dynamics Studies ToProbe the Requirements for Fungicidal Activities of Malayamycin Aand Its N-Nucleoside Variants
The importance of functional group orientations and the integrity of the bicyclic perhydrofuran core ofmalayamycin A and two equally active N-nucleoside analogues as fungicides were investigated. Twoanalogues 10 and 11, representing a THP-truncated and a bicyclic aza-variant, were synthesized andfound to be inactive. Molecular dynamics studies on malayamycin A and analogues were performed tohighlight the importance of properly orientating the urea and methyl ether groups.
