QSAR study on narcotic mechanism of action and toxicity: a molecular connectivity approach to Vibrio fischeri toxicity testing.
Quantitative structure-activity relationships (QSARs) have been established based on narcotic mechanism of action and toxicity data to Vibrio fischeri using molecular connectivity indices. The results obtained suggest that both, the degree of branching and electronic characteristic of the compounds have dominant role in the exhibition of toxicity. The information obtained in the present study will be useful in designing more potent compounds.
Agrawal
Vijay K
VK
QSAR & Computer Chemical Laboratories, A.P.S. University, Rewa, India.
Khadikar
Padmakar V
PV
D000465:Algorithms; D004563:Electrochemistry; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D008968:Molecular Conformation; D009294:Narcotics / Q000494:pharmacology* / Q000633:toxicity*; D021281:Quantitative Structure-Activity Relationship; D014733:Vibrio / Q000187:drug effects*
D009294:Narcotics