Unknown

Dataset Information

0

Biological Evaluation, Molecular Docking, and SAR Studies of Novel 2-(2,4-Dihydroxyphenyl)-1H- Benzimidazole Analogues.

ABSTRACT: 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?? 80-90 nM) AChE and moderate (IC?? 5-0.2 µM) BuChE inhibition in vitro. Some compounds were effective 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?(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.

SUBMITTER: Matysiak J 

PROVIDER: S-EPMC6995558 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

Biological Evaluation, Molecular Docking, and SAR Studies of Novel 2-(2,4-Dihydroxyphenyl)-1<i>H</i>- Benzimidazole Analogues.

Matysiak Joanna J   Skrzypek Alicja A   Karpińska Monika M   Czarnecka Kamila K   Szymański Paweł P   Bajda Marek M   Niewiadomy Andrzej A  

Biomolecules 20191212 12

In the present study, new 4-(1<i>H</i>-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 (IC₅₀ 80-90 nM) AChE and moderate (IC₅₀ 5-0.2 µM) BuChE inhibition in vitro. Some compounds were effective toward AChE/BuChE, exhibiting hi  ...[more]

Similar Datasets

Unknown Biological and quantitative-SAR evaluations, and docking studies of (E)-N -benzylidenebenzohydrazide analogues as potential antibacterial agents.
| S-EPMC4983803 | biostudies-literature
Unknown Novel phthalimide based analogues: design, synthesis, biological evaluation, and molecular docking studies.
| S-EPMC6691772 | biostudies-literature
Unknown Synthesis, Biological Evaluation and Docking Studies of Ring-Opened Analogues of Ipomoeassin F.
| S-EPMC9320607 | biostudies-literature
Unknown Molecular Hybrids Integrated with Benzimidazole and Pyrazole Structural Motifs: Design, Synthesis, Biological Evaluation, and Molecular Docking Studies.
| S-EPMC7203960 | biostudies-literature
Unknown Design, Synthesis, In Vitro Biological Evaluation and In Silico Molecular Docking Study of Benzimidazole-Based Oxazole Analogues: A Promising Acetylcholinesterase and Butyrylcholinesterase Inhibitors.
| S-EPMC10609608 | biostudies-literature
Unknown Synthesis, Docking Studies and Biological Activity of New Benzimidazole- Triazolothiadiazine Derivatives as Aromatase Inhibitor.
| S-EPMC7180718 | biostudies-literature
Unknown Molecular Docking Studies, Synthesis and Biological Evaluation of Substituted Pyrimidine-2,4-diamines as Inhibitors of Plasmodium falciparum Dihydrofolate Reductase.
| S-EPMC9827987 | biostudies-literature
Unknown 2-n-Butyl-6-chloro-1-(2,4-dimethyl-phenyl-sulfon-yl)-1H-benzimidazole-2-n-butyl-5-chloro-1-(2,4-dimethyl-phenyl-sulfon-yl)-1H-benzimidazole (0.759/0.241).
| S-EPMC3238991 | biostudies-literature
Unknown Synthesis, spectroscopic, DFT calculations, biological activity, SAR, and molecular docking studies of novel bioactive pyridine derivatives.
| S-EPMC10511440 | biostudies-literature
Unknown Biological Evaluation and Molecular Docking Studies of Dimethylpyridine Derivatives.
| S-EPMC6471528 | biostudies-literature