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3D QSAR analyses-guided rational design of novel ligands for the (alpha4)2(beta2)3 nicotinic acetylcholine receptor.
TLDR
Three-dimensional quantitative structure-activity relationship methods and physicochemical determinants of binding, such as steric and electrostatic and, for the first time, hydrophobic, hydrogen bond donor, and hydrogen bond acceptor properties, were mapped back onto the molecular structures of a set of nAChR modulators. Expand
Synthesis and nicotinic binding studies on enantiopure diazine analogues of the novel (2-chloro-5-pyridyl)-9-azabicyclo[4.2.1]non-2-ene UB-165.
TLDR
The pyrimidine-containing bioisostere 8 turned out to be the most active diazine analogue, which interacts potently (K(i) = 0.14 nM) with the (alpha4)(2)(beta2)(3) subtype and differentiates significantly among the nAChR subtypes investigated. Expand
Prenylated indole alkaloids from Flustra foliacea with subtype specific binding on NAChRs.
TLDR
Several brominated indole alkaloids and a diterpene (1-7) were isolated from the dichloromethane extract of the North Sea Bryozoan Flustra foliacea and were shown to have affinities in the lower micromolar range for nAChRs, differing in their subtype preference. Expand
3D QSAR Analyses-Guided Rational Design of Novel Ligands for the (α4)2(β2)3 Nicotinic Acetylcholine Receptor
Three-dimensional quantitative structure−activity relationship methods, the comparative molecular field analysis (CoMFA) and the comparative molecular similarity indices analysis (CoMSIA), wereExpand
Colonic epithelial ion transport is not affected in patients with diverticulosis
TLDR
It is concluded that epithelial ion transport is not significantly altered in patients with diverticulosis and that the miniaturized Modified Ussing Air-Suction chamber can be adapted for studies of human colonic endoscopic biopsies. Expand
Bisquaternary caracurine V and iso-caracurine V salts as ligands for the muscle type of nicotinic acetylcholine receptors: SAR and QSAR studies.
TLDR
The binding constants and QSAR results revealed that the presence of hydrogen-bond acceptor groups close to the quaternary nitrogen, is detrimental for the nicotinic binding affinity, suggesting that it is possible to develop compounds with high muscarinic allosteric potency and low or negligible affinities for (alpha1)(2)beta1gammadelta nAChR. Expand
Prostaglandin E2-induced colonic secretion in patients with and without colorectal neoplasia
TLDR
Epithelial electrogenic transport is more sensitive to indomethacin in normal colonic mucosa from patients with previous or present colorectal neoplasia compared to colonicucosa from control patients, indicating that increased indometHacin-sensitive mechanisms in colonic membranes are not related to differences in functional expression of EP receptor subtypes. Expand
Synthesis and nicotinic binding studies on enantiopure pinnamine variants with an 8-azabicyclo[3.2.1]octane moiety.
TLDR
Despite obvious structural similarities with the potent alkaloids pinnamine (5) and (-)-ferruginine (4) the pyranotropanes 6a and 6c exhibited distinctly lower nAChR affinities. Expand
D QSAR Analyses-Guided Rational Design of Novel Ligands for the ( r 4 ) 2 ( â 2 ) 3 Nicotinic Acetylcholine Receptor
Three-dimensional quantitative structure-activity relationship methods, the comparative molecular field analysis (CoMFA) and the comparative molecular similarity indices analysis (CoMSIA), wereExpand
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