IN SILICO ECOTOXICOLOGICAL ASSESSMENT OF CHEMICAL MARKERS OF HERBAL MEDICINES AND SYNTHETIC ACTIVE INGREDIENTS WITH ANTI-INFLAMMATORY ACTION

Abstract

This study presents an in silico ecotoxicological evaluation in aquatic organisms of four chemical markers present in herbal medicines with anti-inflammatory properties and four synthetic drugs used for the same therapeutic indication (ketoprofen, diclofenac, ibuprofen, and nimesulide). Acute toxicity prediction was estimated using ECOSAR v1.11 software, and the substances were classified according to European Directive 93/67/EEC. The results obtained indicated that most of the chemical markers of the herbal medicines selected in this study demonstrated relevant acute toxicity to the aquatic organisms analyzed, as did the synthetic drugs selected in this study