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Biological evaluation, molecular docking, and sar studies of novel 2-(2,4-dihydroxyphenyl)- 1H- benzimidazole analogues
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dc.type
JournalArticle
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dc.description.physical
870
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dc.identifier.weblink
https://www.mdpi.com/2218-273X/9/12/870
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dc.abstract.en
In the present study, new 4-(1H-benzimidazol-2-yl)-benzene-1,3-diols, modified in both rings, have been synthesized and their efficacies as acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitors have been determined. The modified Ellman’s spectrophotometric method was applied for the biological evaluation. The compounds showed strong $IC_{50}$ 5-0.2 $\mu$ M AChE and moderate ($IC_{50}$ 5-0.2 M) BuChE inhibition in vitro. Some compounds were e ective toward AChE/BuChE, exhibiting high selectivity ratios versus BuChE, while the other compounds were active against both enzymes. The structure–activity relationships were discussed. The compounds inhibited also in vitro self-induced A$\beta$ (1-42) aggregation and exhibited antioxidant properties. The docking simulations showed that the benzimidazoles under consideration interact mainly with the catalytic site of AChE and mimic the binding mode of tacrine.
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dc.subject.en
benzimidazole
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dc.subject.en
acetylcholinesterase
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dc.subject.en
butyrylcholinesterase
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dc.subject.en
inhibitor
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dc.subject.en
beta amyloid
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dc.subject.en
molecular docking
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dc.subject.en
lipophilicity
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dc.subject.en
SAR
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dc.description.volume
9
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dc.description.number
12
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dc.description.points
100
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dc.identifier.doi
10.3390/biom9120870
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dc.identifier.eissn
2218-273X
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dc.title.journal
Biomolecules
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dc.language.container
eng
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dc.date.accession
2020-01-24
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dc.affiliation
Wydział Farmaceutyczny : Zakład Fizykochemicznej Analizy Leku
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dc.subtype
Article
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dc.rights.original
CC-BY; otwarte czasopismo; ostateczna wersja wydawcy; w momencie opublikowania; 0