Indian Journal of Pharmacology Home 

RESEARCH PAPER
[Download PDF]
Year : 1981  |  Volume : 13  |  Issue : 4  |  Page : 301--312

A quantitative structure activity relationship (QSAR) analysis of carbomoyl piperidines, barbiturates and alkanes using information – theoretic topological indices-1

SK Ray1, SC Basak2, C Raychaudhury3, AB Roy4, JJ Ghosh5 
1 
2 
3 
4 
5 

Correspondence Address:
S K Ray


In recent years topological indices are being developed to explain the pharmacological and toxic action of drugs at the molecular level. Using two newly formulated information theoretic topological indices, IC and SIC, a quantitative structure-activity relationship (QSAR) study has been carried out with three important series of bioactive agents : carbamoyl piperidines,barbiturates and alkanes. Statistical analysis reveals that IC and«SQ» SIC correlate significantly with the butyrylcholines-terase- inhibiting potency (Ki) of Carbamoyl piperidines, isohypnotic concentrations (c) of barbiturates and toxic doses (LD50) of alkanes. The study shows that these topological indices may be used for the prediction of the pharmacological and toxic action of molecules.


How to cite this article:
Ray S K, Basak S C, Raychaudhury C, Roy A B, Ghosh J J. A quantitative structure activity relationship (QSAR) analysis of carbomoyl piperidines, barbiturates and alkanes using information – theoretic topological indices-1.Indian J Pharmacol 1981;13:301-312


How to cite this URL:
Ray S K, Basak S C, Raychaudhury C, Roy A B, Ghosh J J. A quantitative structure activity relationship (QSAR) analysis of carbomoyl piperidines, barbiturates and alkanes using information – theoretic topological indices-1. Indian J Pharmacol [serial online] 1981 [cited 2020 Dec 1 ];13:301-312
Available from: https://www.ijp-online.com/article.asp?issn=0253-7613;year=1981;volume=13;issue=4;spage=301;epage=312;aulast=Ray;type=0