Experimental and theoretical study of nitro compounds to aromatic alcohol: a sustainable biocatalytic transformation from Amazonian fungi

DOS SANTOS, NEIDY S. S.; FONSECA, SÁVIO; ALMEIDA, FRANCO F.; BELO, EZEQUIEL; SIQUEIRA, MARCELO; DOS SANTOS NICULAU, EDENILSON; SILVA, SEBASTIÃO; SANTOS, DARLISSON A.; PATRICIO F. PROVASI; ANDRADE-FILHO, TARCISO; ANTÔNIO R. DA CUNHA; RODRIGO M. GESTER

Simposio; XXII Simposio Brasilero de Qimica Teorica; 2023

The ability of natural products to provide new compounds with applications in various fields, including biology, pharmacology, and materials science, has attracted much attention in recent years. In this study, we explored the extraction of the 1-nitro-2-phenylethane (NPE) compound from Aniba canelilla and its biotransformation to 2-phenylethanol (PE) by fungi species from the Brazilian Amazon. In addition, we performed computational analyzes to track changes in molecular properties.