In vitro and molecular docking evaluation of apigenin-7-O-glucuronide from Psorospermum febrifugum as anti-inflammatory and predicted antiplasmodial compound

Abstract

Introduction: Psorospermum febrifugum is traditionally used in Africa for the treatment of inflammation andmalaria. This study aimed to isolate and characterize a bioactive compound from its leaves, evaluate its anti-inflammatory activity, assess the antiplasmodial activity of the CH2Cl2/MeOH crude extract, and predict potential molecular targets through docking studies.Methods: A bioactive compound was isolated from the leaves using chemical, chromatographic, and spectroscopictechniques. Anti-inflammatory activity was evaluated by inhibition of egg albumin and bovine serum albumin (BSA) denaturation. The CH2Cl2/MeOH crude extract was tested against chloroquine-sensitive (3D7) and chloroquine-resistant (Dd2) Plasmodium falciparum strains using the SYBR Green assay. Molecular docking of the isolated compound was performed against BSA (4JK4), cyclooxygenase-1 (COX-1), P. falciparum lactate dehydrogenase(PfLDH), and dihydroorotate dehydrogenase (PfDHODH).Results: Apigenin-7-O-glucuronide was isolated and is reported here for the first time from P. febrifugum. Thecompound exhibited strong anti-inflammatory activity, with IC50 values of 40.61 ± 0.92 and 87.62 ± 0.60 μg/mLagainst egg albumin and BSA denaturation, respectively. The crude extract showed moderate antiplasmodialactivity against 3D7 and Dd2 strains, with IC50 values of 44.61 ± 0.08 and 49.08 ± 0.10 μg/mL, respectively. Dockinganalysis suggested favorable interactions of apigenin-7-O-glucuronide with PfLDH, PfDHODH, BSA, and COX-1,indicating potential anti-inflammatory and antiplasmodial mechanisms.Conclusion: These findings provide scientific support for the traditional use of P. febrifugum in treating inflammation and malaria and identify apigenin-7-O-glucuronide as a promising bioactive constituent warranting further pharmacological investigation.