Chemical features responses

Some hits also revealed sufficient selectivity of type 1 inhibition versus the type 2 isoform, which is advantageous for the side-effect profile of these compounds. Comparison of the model for llp-HSDl inhibitors with the X-ray crystal structure (which was published shortly after model generation and VS) showed good correlation of the chemical features responsible for ligand binding. In another study, a combination of common feature-based qualitative and quantitative models was used as 3D pharmacophore search query to successfully detect novel endothelin-A antagonistic lead structures. 

In the preceding sections, the bioiogical properties of adriamycin and daunomycin were discussed in order to identify the chemical features responsible for... 

The availability of formation constants for a large number of structurally diverse alkylammonium ions also encourages attempts to identify quantitatively those chemical features of a resident ligand species that are responsible for stability and selectivity within complexes of cucurbituril. In order to secure interpretable results, a subset of data was compiled, restricted to mono-substituted ammonium ions carrying exclusively alkyl or thioether residues [9]. Only included were moieties for which internal complexation with cucurbituril was established (NMR evidence) and for which substrate-specific overcrowding (such as with the arenes) was unlikely. A short list consisting of the first 24 guests in Table 1 was... 

Matter, U.E., Pascual, C., Pretsch, E., Pross, A., Simon, W., and Stemhell, S., Estimation of the chemical shifts of olefinic protons using additive increments. III. Examples of utility in N.M.R. studies and the identification of some structural features responsible for deviations from additivity, Tetrahedron, 25, 2023, 1969. 

Proteomic analysis thus has a strong place to provide complementary and more exacting insights into cellular-level responses and provides a means to more clearly realize the basis of molecular interactions, metabolite fluxes, and outputs. Unlike mRNA, proteins cannot be amplified, are far more chemically and structurally diverse, are often compartmentalized, and have chemical features that differentially affect extraction. Thus, comprehensive... 

Olfactory perception translates abstract chemical features of odorants into meaningful neural information to elicit appropriate behavioral responses (Shepherd, 1994 Buck, 1996). Specialized bipolar olfactory sensory neurons (OSNs) are responsible for the initial events in odor recognition. These have ciliated dendrites exposed to the environment, and a single axon that extends into the brain and forms synapses with second order projection neurons (PNs) (Shepherd, 1994 Buck, 1996). In arthropods and mammals, the first olfactory synapse is organized into glomeruli, spherical structures in which afferent olfactory neuron axons synapse with projection neuron dendrites (Hildebrand and Shepherd, 1997). 

Sesquiterpene lactones (SL) constitute a numerous group of compounds with several biological activities reported, usually related to the presence of an a, 3-unsaturated carbonyl system in the lactone ring.42 This is a very common chemical feature in these compounds, and their alkylating properties through Michael addition reactions are considered as responsible for such activity.16... 

A variety of experimental studies performed so far indicate clear-cut links between some physico-chemical features and the response elicited in cellular models relevant to lung toxicity. We describe here briefly the most relevant ones, reported in most review papers in the field.6 10... 

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