Investigation of Antiparasitic Properties of Benzimidazole Derivatives Against Amebiasis

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dc.contributor.authorAtaş, Ahmet Duran
dc.contributor.authorAtaseven, Hilmi
dc.contributor.authorSayın, Koray
dc.date.accessioned2025-05-04T16:21:34Z
dc.date.available2025-05-04T16:21:34Z
dc.date.issued2022
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractEntamoeba histolytica is one of the common causes of infection in humans around the world. It causes clinically significant infection due to the fact that it causes morbidity and mortality. There is a need for new and safe drugs in the treatment of amebiasis. In this study, the activity of proton pump inhibitors against this parasite were investigated. Pantoprazole, lansoprazole, omeprazole, esomeprazole and rabeprazole were examined in detail. Initially, related drugs are optimized at M062X/6-31+G(d) level in water. Then, 3JS5, 3IDO and 3ILY were minimized at OPLS3e method. The docking calculations were performed and it is found that pantoprazole could be a significant candidate in the inhibiting of Entamoeba histolytica. Then, the interaction between pantoprazole and the target parasite were examined in the range of 0 – 100 nanoseconds (ns). The interaction energies in each one ns were calculated. As a result, the interaction was found as stronger than 88 ns. Pantoprazole was clinged to Entamoeba histolytica to inhibiting it.
dc.description.abstract[No abstract available]
dc.identifier.doi10.33435/tcandtc.1055649
dc.identifier.doihttps://doi.org/10.33435/tcandtc.1055649
dc.identifier.issn2587-1722
dc.identifier.issn2602-3237
dc.identifier.issue2
dc.identifier.startpage17-Nov
dc.identifier.urihttps://hdl.handle.net/20.500.12418/31842
dc.identifier.volume6
dc.language.isoen
dc.publisherKoray SAYIN
dc.relation.ispartofTurkish Computational and Theoretical Chemistry
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_DergiPark_20250504
dc.subjectProton Pump Inhibitors
dc.subjectParasite
dc.subjectEntamoeba Histolytica
dc.subjectDocking
dc.subjectIn Silico
dc.titleInvestigation of Antiparasitic Properties of Benzimidazole Derivatives Against Amebiasis
dc.typeResearch Article

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