Molecular docking and pharmacokinetics of Roweothuria polii compounds with in vivo anti-Eimeria papillata activity #MMPMID41389088
Thagfan FA; Dkhil MA; Taha RG; El-Sayed YA; Elabed S; Abdel-Gaber R; Kasem SM
Vet Res Commun 2025[Dec]; 50 (1): 73 PMID41389088show ga
Coccidiosis is a significant disease impacting livestock, induced by parasites of the Genus Eimeria. This study examined the in silico molecular docking and pharmacokinetic characteristics of bioactive constituents from Roweothuria polii methanolic extract (RME) against the Mus musculus catalase enzyme, along with its in vivo effectiveness in recovering the host's nutritional status affected by Eimeria papillata. RME was formulated and assessed for its antioxidant potential, protein concentration, and amino acid profile. Fourier transform-infrared spectroscopy analysis was conducted to identify the functional groups present. Twenty-five male Swiss albino mice were divided into five groups: Control, RME administration, infected with 1000 sporulated E. papillata oocysts, infected-treated with RME, and infected-treated with amprolium. Following five days of therapy, growth performance metrics, intracellular parasite stages and jejunal protein content were assessed. The oxidative state and cytokines gene expression were assessed. Results indicated that RME exhibited a scavenging efficacy of 46.61%, with a total protein content of 8.13% and the presence of 17 amino acids. The bioactive components of RME, namely squalene, methyl arachidonate and linoleic acid demonstrated the highest binding affinity in molecular docking assays targeting the catalase enzyme. In silico ADMET profiling indicated advantageous pharmacokinetic characteristics, exhibiting reduced toxicity concerns. In vivo showed that RME therapy significantly enhanced body weight loss and feed intake in infected mice. RME treatment diminished parasite stages and enhanced antioxidant status. Furthermore, RME therapy restored jejunal protein levels and downregulated cytokine gene expression. These findings underscored the bioactivity of RME and its potential usefulness against E. papillata.
Vet+Res+Commun 2025 ; 50 (1): 73
