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.
Introduction: Toxic hepatitis is characterized by enhanced oxidative stress and disruption of antioxidant defense mechanisms in the liver mitochondria. In this study, we investigated the effects of polyphenolic extracts (Helmar- 1 and Helmar-2) obtained from Helichrysum maracandicum on mitochondrial antioxidant systems in rats with experimentally induced toxic hepatitis. Methods: Experimental toxic hepatitis was established in rats through intraperitoneal administration of carbon tetrachloride (CCl₄) diluted in olive oil (50%, 1 mL/kg), administered twice weekly over a two-week period. Liver injury was verified by elevated plasma levels of alanine aminotransferase (ALT) and aspartate aminotransferase (AST). The animals were subsequently treated with Helmar-1 and Helmar-2 extracts at a dose of 20 mg/kg per day for 10 consecutive days. The activities of key antioxidant enzymes (superoxide dismutase, catalase, and glutathione peroxidase), malondialdehyde (MDA) content, and mitochondrial respiration and oxidative phosphorylation parameters (V₂, V₃, V₄, RCR, and ADP/O ratio) were assessed in liver mitochondria. Results: Treatment with both Helmar-1 and Helmar-2 extracts resulted in a significant enhancement of antioxidant enzyme activities, a marked reduction in MDA levels, and substantial improvement in mitochondrial respiration and oxidative phosphorylation parameters compared to untreated toxic hepatitis groups. Conclusion: Overall, these results confirm that Helichrysum maracandicum polyphenol extracts improve mitochondrial respiration, oxidative phosphorylation efficiency, antioxidant defense, and membrane stability in toxic hepatitis.
Introduction: Hepatocellular carcinoma (HCC) is the fourth leading cause of cancer-related deaths worldwide, with a five-year survival rate of only 19%. Although Sorafenib is the primary systemic therapy, its limited efficacy and complex interactions with signaling pathways highlight the need for multi-target drugs. Methods: This study evaluates the anti-cancer properties of selected phytochemicals against six key HCC target proteins, utilizing sorafenib tosylate as a positive control. Molecular docking was performed to evaluate binding affinities and interactions, and ADME/T predictions were generated to estimate drug-like properties. The topranking candidates were further evaluated using 100-ns molecular dynamics simulations to analyze conformational stability, protein-ligand interactions, and residue mobility. Results: Silymarin (SA) emerged as the most effective compound, demonstrating greater predicted inhibitory activity than Sorafenib. SA showed high binding affinity for target proteins 6HH1 (−9.9 kcal/mol) and 1CM8 (−9.6 kcal/mol). Molecular dynamics simulations also revealed increased stability of the SA-protein complexes, particularly for the 1CM8-SA complex, which maintained high conformational stability. The root-mean-square deviation (RMSD) value was found to be around 2.1 Å, and the root-mean-square fluctuation (RMSF) values were below 3 Å, indicating lower protein flexibility compared to both the native and sorafenib-bound complexes. Conclusion: These computational findings provide a strong theoretical basis for Silymarin’s efficacy as a highly potent, multi-targeted therapeutic agent against HCC. The improved stability and binding properties of Silymarin compared with Sorafenib provide a strong rationale for advancing this compound into preclinical and clinical studies.
Introduction: Withania somnifera, commonly known as Ashwagandha, is one of the most widely prescribed plants in the Indian system of traditional medicine. Its roots are believed to impart comprehensive health benefits supporting lifespan and healthspan through their anti-stress, immunomodulatory, and neuroprotective activity. Scientific validation of its claimed biological effects is warranted. Methods: The nematode worm Caenorhabditis elegans was challenged with heat or certain neurotoxic/mitotoxic chemical stressors, and worm activity (healthspan) was compared between W. somnifera root extract (WSRE)- exposed and control worm populations through an automated worm tracker. Results: Previous exposure of worms to WSRE conferred prophylactic benefit on them in the face of subsequent challenge with rotenone, MnCl2, or levamisole. Worms pre-exposed to either of these toxins were able to recover faster in the presence of WSRE. This extract was also able to reduce the susceptibility of wild-type worms to heatinduced paralysis and that of transgenic worms to beta-amyloid-mediated paralysis. Conclusions: W. somnifera root extract improved the ability of C. elegans to withstand and recover from multiple stressors, consistent with its adaptogenic-like effects mentioned in traditional medicine. WSRE conferred protection on this worm against multiple stressors acting through different toxicological mechanisms. Our results support the candidature of W. somnifera roots as a potent nutraceutical. However, the underlying molecular targets and pathways remain to be elucidated.
