Synthesis (<i>Z</i>) vs (<i>E</i>) Selectivity, Antifungal Activity against <i>Fusarium oxysporum</i>, and Structure-Based Virtual Screening of Novel Schiff Bases Derived from <scp>l</scp>-Tryptophan
Paola Borrego-Muñoz, Lili Dahiana Becerra, Felipe Ospina, Ericsson Coy‐Barrera, Diego Quiroga
Abstract
. In this sense, molecular dynamics analysis showed that the ligand-protein complexes have good stability with root-mean-square deviation (RMSD) values within the allowed range. Therefore, the present study paves the way for designing new antifungal compounds based on l-tryptophan-derived Schiff bases.
Topics & Concepts
ChemistryEnamineTautomerIntramolecular forceSchiff baseStereochemistrySteric effectsVirtual screeningMoleculeTryptophanOrganic chemistryAmino acidPharmacophoreBiochemistryCatalysisSynthesis and biological activityMulticomponent Synthesis of HeterocyclesSynthesis and Biological Evaluation