English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

We present here the results of a Density Functional Theory study of the relationships between electronic structure and peripheral benzodiazepine receptor affinity for a group of n , n -dialkyl-2-phenylindol-3-ylglyoxylamide derivatives. As expected for a receptor that evolved over many millions of years, the interaction is charge- and orbital-controlled because it involves net charges and reactivity indices from definite molecular orbitals. The conditions for high receptor affinity are obtained and commented on. A partial pharmacophore model is suggested and discussed. This is the first time that an all-electron calculation combined with a model-based method is employed in QSAR studies. keywords: Density Functional Theory, Fukui indices, superdelocalizabilities, structure-activity relationships, receptor affinity, peripheral benzodiazepine receptor. inTroDucTion Benzodiazepines (Bz) were introduced into clinical practice in the 1950s and they were received as efficacious minor tranquilizers, largely devoid of unwanted side effects, in contrast to the barbiturates and similar drugs that they largely superseded. Bz are the most commonly prescribed minor tranquilizers, also known as anxiolytics and hypnotics. Today there is little doubt of the therapeutic efficacy of Bz in reducing anxiety, inducing sleep and quelling panic symptoms. Their action occurs through their binding to a site in the GABA

journal of the chilean chemical society

A DFT STUDY OF THE RELATIONSHIPS BETWEEN ELECTRONIC STRUCTURE AND PERIPHERAL BENZODIAZEPINE RECEPTOR AFFINITY IN A GROUP OF N,N-DIALKYL-2-PHENYLINDOL-3-YLGLYOXYLAMIDES