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

 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.