Chemical structures of CA-074Me, E-64, and selected synthesized molecules as CatB inhibitors.
journal contribution
posted on 2024-12-19, 18:37 authored by Mohammed Alrouji, Sabina Yasmin, Mohammed S. Alshammari, Fahad A. Alhumaydhi, Sharaf E. Sharaf, Moyad Shahwan, Anas ShamsiChemical structures of CA-074Me, E-64, and selected synthesized molecules as CatB inhibitors.
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identifying effective inhibitorsamyloid precursor proteinamyloid &# 946alzheimer &# 8217two repurposed moleculessignificant therapeutic interestfunctionally significant residuespinpoint potential hitsexhibited preferential bindingcatb via interactingrepurposed catb inhibitorssignificant affinityrepurposed drugspotential targetpotential applicationsbinding mechanismbinding affinitiesvarious physiologicaltaken togetherresults revealedproteolytic degradationpromising candidatespivotal rolepathological processesmolecular dynamicsincluding cancerfindings suggestdrugbank databasedrug complexescysteine proteasecritical rolecathepsin bcatalytic pocketapp ).500 ns
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