Oximes: Inhibitors of Human Recombinant Acetylcholinesterase. A Structure-Activity Relationship (SAR) Study

Oximes: Inhibitors of Human Recombinant Acetylcholinesterase. A Structure-Activity Relationship (SAR) Study

Acetylcholinesterase (AChE) reactivators were developed for the treatment of organophosphate intoxication. Standard care involves the use of anticonvulsants (e.g., diazepam), parasympatolytics (e.g., atropine) and oximes that restore AChE activity. However, oximes also bind to the active site of AChE, simultaneously acting as reversible inhibitors. The goal of the present study is to determine ...

The Length Dependent Activity of Oximes on Reactivation of Tabun Inhibited Acetylcholinesterase; A Theoretical Study

In this work, the effect of ligand's length on interaction energy of six oximes, A [2-(hydroxyimino)-N-((1-(2-(2-((hydroxyimino)methyl)-1H-imidazol-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide], B [2-(hydroxyimino)-N-((1-(3-(2-((hydroxyimino)methyl)-1H-imidazol-1-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide], C [2-(hydroxyimino)-N-((1-(4-(2-((hydroxyimino)methyl)-1H-imidazol-1-yl)but...

Flavonoids as inhibitors of MRP1-like efflux activity in human erythrocytes. A structure-activity relationship study.

The potency of flavonoids (isoflavones, flavones, and flavanones) to inhibit efflux of 2',7'-bis-(carboxypropyl)-5(6)-carboxyfluorescein (BCPCF) from human erythrocytes was investigated. Structure-activity relationship analysis showed that the strongest inhibitors were found among flavanones bearing a hydrophobic prenyl, geranyl, or lavandulyl group at position 8 (and hydroxyl groups at 5 and 7...

a structure–activity relationship survey of histone deacetylase (hdac) inhibitors

the length dependent activity of oximes on reactivation of tabun inhibited acetylcholinesterase; a theoretical study

in this work, the effect of ligand's length on interaction energy of six oximes, a [2-(hydroxyimino)-n-((1-(2-(2-((hydroxyimino)methyl)-1h-imidazol-1-yl)ethyl)-1h-1,2,3-triazol-4-yl)methyl)acetamide], b [2-(hydroxyimino)-n-((1-(3-(2-((hydroxyimino)methyl)-1h-imidazol-1-yl)propyl)-1h-1,2,3-triazol-4-yl)methyl)acetamide], c [2-(hydroxyimino)-n-((1-(4-(2-((hydroxyimino)methyl)-1h-imidazol-1-y...