HPLC Analysis, In Vitro and In Silico Evaluation of Antioxidant Activity of Methanol Stem Bark Extract of Picralima nitida (Apocynaceae)
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Abstract
Antioxidant compounds are effective in mitigating or preventing radical-induced damages either by neutralizing the free radicals or activating pro-antioxidant proteins (such as NRF2). Picralima nitida has been shown to possess numerous biological activities. This study aimed to investigate the phytochemical constituents, antioxidant activity, and predict the safety and efficacy of compounds in Picralima nitida stem bark. Quantitative evaluation of phenols and flavonoids contents were performed using spectrophotometric methods. The antioxidant activity was evaluated in vitro using ABTS, DPPH, and FRAP assays. Analytical High-performance Liquid Chromatography (HPLC) was used for the compounds identification. Furthermore, the antioxidant potential of the identified compounds were assessed in silico via molecular docking with nuclear factor erythroid 2-related factor 2 (NRF2), followed by pharmacokinetics, and toxicity assessment using computational tools. The results showed that the total phenol, and flavonoid contents of Picralima nitida stem bark extract were 95.11 mgGAE/g extract, and 12.22 mgQE/g extract, respectively. In vitro antioxidant activity evaluation showed that the extract possesses strong antioxidant activity with IC50 values of 7.38 µg/mL, and 27.40 µg/mL for ABTS, and DPPH radical scavenging activity, respectively, and a FRAP value of 145.37 mM FeSO₄ equivalents/g. HPLC analysis identified 11 compounds with docking scores between -4.315 and -12.603 Kcal/mol. Comparison of the pharmacokinetic properties of these compounds revealed rutin, naringin, and catechin as the most promising candidates for further studies. This study underscores the use of Picralima nitida in the treatment of different ailments in traditional medicine while providing insights for future drug developments from the plant.
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