herbal ligands against Leptospira

Leptospirosis is one of the most infectious bacterial diseases caused by the pathogen Spirochete. The disease is transmitted through indirect contact with contaminated water or soil in the urine of an infected animal. Peptide deformylase promotes protein maturation in bacteria by removing the formyl group from the residual methionine peptides. Materials and methods: Peptide deformylase was docked with ۱۰۰ plant ligands found from the articles. Pharmacokinetic analysis was performed on the ligands. Ligands with acceptable binding energy were evaluated for hydrogen bonds formed with the receptor.Results: Fifteen ligands with the best binding energy were selected. among them, Scutevulin, phenethyl caffeate and, ۸-Desoxygartanin Respectively with binding energies -۹.۲, -۸.۳ and, -۸.۲ were non-mutagenic and non-carcinogenic Based on pharmacokinetic analyzes. They also form ۱, ۲, and ۳ hydrogen bonds to the receptor, respectively.Conclusion: Among the three selected ligands ۸-Desoxygartanin has a high binding to plasma proteins so it can not be used as an oral drug. But Scutevulin and phenethyl caffeate can be introduced as a suitable oral ligand. Also, phenethyl caffeate is extracted from the plant Iranian propolis native to Iran.