Ontology highlight
ABSTRACT:
SUBMITTER: Jackson PL
PROVIDER: S-EPMC3035205 | biostudies-literature | 2009 Jan
REPOSITORIES: biostudies-literature
Jackson Patrice L PL Scott K R KR Southerland William M WM Fang Ya-Yin YY
Bioorganic & medicinal chemistry 20081113 1
3D-QSAR studies comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were carried out on 26 structurally diverse subcutaneous pentylenetetrazol (scPTZ) active enaminone analogues, previously synthesized in our laboratory. CoMFA and CoMSIA were employed to generate models to define the specific structural and electrostatic features essential for enhanced binding to the putative GABA receptor. The 3D-QSAR models demonstrated a reliable ability ...[more]