| Summary: | Ibuprofen, in addition to having beneficial properties,
cause serious side effects, ranging from gastrointestinal ulcerations
until bleeding. These unwanted effects stimulate the research &
development of new and more effective therapeutic agents and less
harmful to human health. In this context, the aim of this study was to
conduct an in silico study to evaluate pharmacokinetics properties,
toxic effects and interaction of ibuprofenates derived from natural
products with prostaglandin G/H synthase 2. The anisyl, thymil and
eugenyl ibuprofenates showed molecular properties and low or no
toxicity, expected for bioactive substances with potential drug
candidates. Furthermore, it was observed that the ibuprofenates
evaluated had higher interaction energy with the prostaglandin G/H
synthase 2 in a similar orientation to ibuprofen drug.
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