SOFTWARE PASS Online
Antioxidant Activity Prediction
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The objective was to identify, through an in silico study , natural molecules characterized in the hydroalcoholic extract of Ocimum citriodurum in the laboratory that could act by antioxidant action, resembling experimental studies for teaching Organic Functions based on this interaction.According to the HPLC-MS methodology, 7 chemical constituents have been identified, most of which is rosmarinic acid, corresponding to 38.65%. Therefore, with the in silico activity, the active potential (Pa) determined for the hydroalcoholic extract of Ocimum citriodurum was exactly 0.547, thus identifying th...
The objective was to identify, through an in silico study , natural molecules characterized in the hydroalcoholic extract of Ocimum citriodurum in the laboratory that could act by antioxidant action, resembling experimental studies for teaching Organic Functions based on this interaction.According to the HPLC-MS methodology, 7 chemical constituents have been identified, most of which is rosmarinic acid, corresponding to 38.65%. Therefore, with the in silico activity, the active potential (Pa) determined for the hydroalcoholic extract of Ocimum citriodurum was exactly 0.547, thus identifying the antioxidant action present in it. By way of comparison, the reliability of the in silico study was tested in vitro. The extract also showed active antioxidant activity against the DPPH method, with a 50% efficient concentration (EC 50 ) of 50.53 mg/L. Furthermore, through the results of the similarity research, the Didactic Sequence (SD) was elaborated addressing the topic of bioactive molecules and antioxidants with the PASS Online and Pubchem server addressing the content of Organic functions.
