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Dergiler / Turkish Computational and Theoretical Chemistry / 2022 / Volume: 6 Issue: 2

Investigation of Antiparasitic Properties of Benzimidazole Derivatives Against Amebiasis

Ahmet Duran Ataş(SIVAS CUMHURIYET UNIVERSITY)0000-0002-6274-414X
Hilmi Ataseven(SIVAS CUMHURIYET UNIVERSITY)0000-0001-5458-509X
Koray Sayın(Department of Chemistry, Faculty of Science, Sivas Cumhuriyet University 58140 Sivas/TURKEY)0000-0001-6648-5010
Sayfa
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Yayın Tarihi
2022-12-15
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Yapay Zeka Hızlı Bakış & Çıkarımlar

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⚡ TL;DR(1 Cümlede Hızlı Çıkarım)

Pantoprazole was clinged to Entamoeba histolytica to inhibiting it.

📌 3 Maddede Bu Makale

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Amaç & Hipotez:Entamoeba histolytica is one of the common causes of infection in humans around the world.
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Temel Bulgular & Veri:It causes clinically significant infection due to the fact that it causes morbidity and mortality.
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Sonuç & Katkı:Pantoprazole was clinged to Entamoeba histolytica to inhibiting it.
🔬Tür:Research Article
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Proton Pump Inhibitors · Parasite · Entamoeba Histolytica

Abstract

Entamoeba 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.

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Bu Makaleye Atıf Yap

Ataş, A. D., Ataseven, H., Sayın, K. (2022). Investigation of Antiparasitic Properties of Benzimidazole Derivatives Against Amebiasis. Turkish Computational and Theoretical Chemistry, Volume: 6 Issue: 2. https://doi.org/10.33435/tcandtc.1055649

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Kaynakça (5)

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