The phenolic structural analogues of synthetic antioxidants such as butylated hydroxytoluene (BHT) in essential oils have been reported to exhibit antioxidant properties. Additionally, their lipophilicity makes them suitable for use in lipid-rich foods. This study evaluated the antioxidant capacity of carvacrol, a monoterpenoid antioxidant compound in the Monodora myristica (Gaertn.) seed essential oil, compared to the seed essential oil and BHT. In vitro studies (ferric reducing antioxidant power (FRAP), metal chelating activity (MCA), and nitric oxide scavenging activity (NOSA)) were conducted to ascertain if the antioxidant capacity of carvacrol was comparable to that of the seed essential oil. The potential binding affinity and molecular interactions between carvacrol and lipoxygenase (LOX) and its homologous model were investigated in silico. The molecular docking was performed using Autodock Vina, and the best poses were subjected to molecular dynamics simulation. The IC₅₀ for MCA and NOSA were: carvacrol 50.29 µL/mL, seed essential oil (SEO) 71.06 µL/mL; and carvacrol 127.61 µL/mL, SEO 165.18 µL/mL, respectively. The LOX model was Ramachandran favoured (97.75%) and the overall quality factor in the ERRAT plot was 95.392. The results of the molecular docking and molecular dynamics simulations revealed that lipoxygenase has a higher affinity (−22.79 kcal/mol) for carvacrol compared to BHT. In the LOX–BHT and LOX–carvacrol complexes, the root-mean-square deviation (RMSD), root-mean-square fluctuation (RMSF), and the radius of gyration (RoG) were not significantly different, indicating similar molecular interactions. The results obtained from this study suggest that carvacrol exhibits an antioxidant capacity that may be explored as an alternative for crude essential oils and synthetic compounds during the storage of lipid-rich foods.

The continued use of potassium bromate in some food and cosmetic products in Nigeria against regulatory provision has continually exposed Nigerians to its deleterious effect. The mechanism of bromate induced damage in the liver and kidney is through oxidative stress. Phytochemicals have antioxidant capacity and have gained research interest in the management of oxidative stress. In this study, the effect of the ethanol extract of Aframomum angustifolium seed on kidney and liver damage induced by exposure to an acute dose of potassium bromate was measured using appropriate biomarkers. Eighteen male Wistar rats, randomly divided into 3 groups were used for the study. Group I (normal control) received distilled H2O; Group II (positive control) received 400 mg/kgbw bromate once while Group III (test) received same acute dose as Group II but thereafter treated with an oral dose of ethanol extract (750 mg/kgbw) for 10days. Half the populations of each group were sacrificed on day 3 while the remaining was sacrificed on day 10 of treatment. Liver and kidney tissues as well as blood samples were collected for analysis. Biochemical parameters; malondialdehyde, creatinine, electrolytes (Na+ and K+) concentration as well as catalase, alanine aminotransferase and alkaline phosphatase activities were measured using standard spectrophotometric procedures. In the kidney tissue, malondialdehyde concentration increased significantly in all groups from day 3 to day 10 but was highest in Group II. A similar trend was observed in the liver tissue but only group III increased significantly. Catalase activity was inhibited in Group II in both kidney and liver tissues and was significantly lower than test group. Serum Na+ decreased and K+ increased respectively but Group III were comparable to the Group I. Creatinine concentration increased in all groups but was highest in Group II though it was not significant. ALP activity was significantly higher (p0.05) on day 10. The results of this study suggests that ethanol extract of Aframomum angustifolium seeds can accelerate the in vivo repair of bromate induced hepato- and reno- toxicity in Wistar rats. Keywords: Aframomum angustifolium, bromate toxicity, malondialdehyde, antioxidant, phytochemicals.

This research attempts to establish the antihyperglycemic potential of Eremomastax speciosa, a medicinal plant utilized in traditional West African diabetes therapy, through virtual simulation. While numerous reports have validated its biological potency, studies on the drug-likeness and antidiabetic properties of its compounds are limited. The in silico pharmacological, and toxicological profile of aqueous, methanolic/methylene phytochemicals from previously reported work was analyzed using Swiss ADME and Protox II online server. The docking process was performed using PyRx-0.8, coupled with AutoDock Vina. Phytochemicals that aligned with Lipinski’s rules for drugs were then subjected to a virtual docking simulation. This simulation replicated the inhibitory effects of E. speciosa phytochemicals on sodium-glucose co-transporters (SGLT2) and α-amylase, similar to metformin, an FDA-approved antidiabetic medicine utilized as a control. Phytochemicals such as 8, 9,10-dimethyltricyclo[4.2.1.1(2,5)]decane-9,10-diol (-6.6 kcal/mol), 11-isopropylidenetricyclo[4.3.1.1(2,5)]undec-3-en-10-one (-7.9 kcal/mol), 4-(1,5-dihydroxy-2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one (-7.3 kcal/mol), and N-methyl-N-4-[2-acetoxymethyl-1-pyrrolidyl]-2-butynyl]-acetamide (-7.5 kcal/mol) exhibits superior binding affinities to the specific proteins targeted, compared to metformin, implying that E. speciosa is a source of druggable antidiabetic molecules that can be enhanced to achieve better efficacy.

Background: Malaria remains a significant and worldwide health threat with increasing resistance to current treatments, stimulating the demand for innovative approaches in pursuing drug discovery. This systematic review integrates the progress made from 2014 through 2024 regarding molecular methods like gene expression profiling, molecular docking and machine learning to understand the biology of Plasmodium and identify new drug targets and compounds, focusing on herbal remedies and computational methods. Methodology: Several studies were found using a PRISMA‐guided search of PubMed, Scopus and Web of Science (64 studies found). The data extracted were gene expression outcomes, docking affinities, ML models and experimental validations (in vitro/in vivo). Results: Molecular docking emerged as the dominant technique (32.37%), followed by in vitro antiplasmodial assays (14.39%), ADMET profiling (10.79%) and gene expression studies (3.60%). RNA‐seq analysis revealed key host and parasite genes modulated by herbal treatments, including those involved in apoptosis and inflammation. Notably, compounds like isorhamnetin and myricetin 3‐O‐glucoside showed exceptionally high binding affinities to Plasmepsin II and Plasmodium falciparum lactate dehydrogenase (PfLDH) (ΔG < −13 kcal/mol). ML models like random forest and support vector machine (SVM) exhibited high predictive results (AUC value up to 0.87) for bioactivity and resistance patterns that showed flavonoids (quercetin) and terpenoids (eugenol) as good candidates. Pathways that are often attacked are haemoglobin degradation, glycolysis, pyrimidine metabolism and protein synthesis. Conclusion: Multiomics, docking and ML integration improve the target identification and prioritise the compounds. This review illustrates the great potential of molecular techniques for the development of drugs against antimalarial helicases that are not resistant to drug therapy. However, in vivo data holes and methodology inconsistency limit clinical translation. Future work should include standardisation of protocols and studies of synergistic combinations of phytochemicals.

Background: Malaria, caused by Plasmodium parasites, remains a global health burden, with drug resistance threatening control efforts. CRISPR‐Cas technologies, particularly CRISPR‐Cas9, have transformed malaria research by enabling precise genetic manipulations to study antimalarial resistance mechanisms, develop novel therapeutics and enhance diagnostics. Methods: A systematic literature search (2015–2025) across Web of Science, Scopus and PubMed identified 39 peer‐reviewed studies utilising CRISPR‐Cas to investigate antimalarial drug resistance in Plasmodium species . Data were extracted on study design, genetic manipulations, target genes, resistance mechanisms and outcomes. Results: CRISPR‐Cas9 was the dominant tool (84.6%), primarily used for point mutations ( PfK13 C580Y, PfCRT K76T), gene knockouts and integrations in P. falciparum (87.2%) and P. berghei (12.8%). Key resistance mechanisms included drug efflux ( PfCRT , PfMDR1 ), reduced binding affinity ( PfDHODH , DHFR ), metabolic compensation ( PfDHODH CNV) and impaired haemoglobin trafficking ( PfK13 , UBP‐1). Novel mediators like PfCARL and PfExo were identified, alongside compensatory mutations mitigating fitness costs. High‐throughput screening (BarSeq) and diagnostics (SHERLOCK, CRISPR‐Cas 12a) enhanced resistance surveillance. Challenges included low editing efficiency in nonasexual stages, limited P. vivax tools, off‐target risks and scalability constraints. Conclusion: CRISPR‐Cas technologies have elucidated critical resistance pathways and supported innovative diagnostics, but challenges persist. Future advancements in base editing, omics integration and in vivo models will expand CRISPR’s utility in nonfalciparum species and field isolates, informing novel antimalarials and surveillance strategies to combat drug‐resistant malaria.

The polyherbal extract obtained from the leaves of Azadirachta indica, Mangifera indica, and Persea americana is traditionally utilized by the Esan people of Edo State, Nigeria, to treat uncomplicated malaria. This study assessed the antiplasmodial and haematoprotective efficacy of the polyherbal extract via in vivo tests utilizing chloroquine-sensitive mice infected with Plasmodium berghei, focusing on parasite count and its effects on haematological markers. The animals were allocated to treatment groups receiving 200, 400, and 800 mg/kg of fresh and heated polyherbal extracts, respectively, with chloroquine as the reference drug. The malaria parasite count was conducted via Field's staining method, while the whole blood count was performed with an auto-hematology analyzer. The results of the study revealed a dose-dependent antiparasitic effect of the polyherbal extract, with the 800 mg/kg dosage reducing red blood cell count. Although the malaria parasite count was not significantly different among the treated groups, those receiving 800 mg/kg daily of both heated and fresh extracts showed parasite levels comparable to the normal and chloroquine-treated control groups. No significant differences were observed in the other red blood cell parameters or white blood cell counts across the groups, including the chloroquine-treated group. The group treated with the heated extract at 800 mg/kg showed the lowest average white blood cell count. This study offers significant insights into the therapeutic potential of the polyherbal extract. Additional research is required to clarify the mechanisms behind the reported effects and to investigate the therapeutic benefits of adequately controlling malaria symptoms.