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Can I read QSAR modeling of the interaction of flavonoids with GABA(A) receptor on EtoBox?
QSAR modeling of the interaction of flavonoids with GABA(A) receptor by Pablo R. Duchowicz; Martín G. Vitale; Eduardo A. Castro; Juan C. Autino; Gustavo P. Romanelli; Daniel O. Bennardi is a Chemistry article available to read on EtoBox.
What is QSAR modeling of the interaction of flavonoids with GABA(A) receptor about?
Experimentally assigned values to binding affinity constants of flavonoid ligands towards the benzodiazepine site of the GABA(A) receptor complex were compiled from several publications, and enabled to perform a predictive analysis based on Quantitative StructureeActivity Relationships (QSAR). The best linear model established on 78 molecular structures incorporated four molecular descriptors, selected from more than a thousand of geometrical, topological, quantum-mechanical and electronic types of descriptors and calculated by Dragon software. An application of this QSAR equation was performed by estimating the binding affinities for some newly synthesized flavonoids displaying 2-,7-substitutions in the benzopyrane backbone which still do not have experimentally measured potencies.
Who reads QSAR modeling of the interaction of flavonoids with GABA(A) receptor?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Pablo R. Duchowicz; Martín G. Vitale; Eduardo A. Castro; Juan C. Autino; Gustavo P. Romanelli; Daniel O. Bennardi
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0223-5234)
- Published
- 2008
- Language
- EN
- Field
- Chemistry (Physical Sciences)