introduction: Leptospirosis, a zoonotic bacterial infection, remains a significant public health concern, especially in tropical and subtropical regions. Peptide deformylase (PDF), an essential bacterial enzyme, has emerged as a novel target for anti-leptospiral drug development due to its absence in eukaryotic cells. materials and methods: ADMET profiling through SwissADME and ProTox-II to assess drug-likeness, pharmacokinetics, and toxicity. Nineteen compounds passed Lipinski's rule and were evaluated using molecular docking in PyRx software. results: Stigmasterol (-9.3 kcal/mol), Beta-sitosterol (-8.7 kcal/mol), Chrysoeriol (-8.5 kcal/mol) showed higher binding affinity than the standard drug Penicillin (-7.3 kcal/mol). discussion: . In silico ADMET properties of phytochemicals from Cardiospermum halicacabum revealed that most of the compounds exhibit desirable drug-like properties. Through docking studies, Beta-sitosterol, chrysoeriol, and stigmasterol showed potential therapeutic activity against leptospirosis. conclusion: These findings suggest that selected phytocompounds from C. halicacabum exhibit promising natural inhibitory activity against peptide deformylase, providing a potential alternative treatment approach for leptospirosis. Further in vitro studies are recommended to validate these computational findings and establish therapeutic viability.
S et al. (Tue,) studied this question.