QSAR studies on 1,2-dithiole-3-thiones: modeling of lipophilicity, quinone reductase specific activity, and production of growth hormone.
Studies on modeling of lipophilicity (logP) quinone reductase specific activity (logCDQR) and production of growth hormone (logCDGH) of 1,2-dithiole-3-thiones have been carried out using distance-based topological indices. The regression analysis of the data has shown that the set of compounds exhibit 'familial' relationships in that excellent results are obtained by dividing the data set into two or more classes (families).
Khadikar
Padmakar
P
Research Division, Laxmi Fumigation and Pest Control (P) Ltd, 3 Khatipura, Indore 452 007, India. pvkhadikar@rediffmail.com
Jaiswal
Mona
M
Gupta
Madhu
M
Mandloi
Dheeraj
D
Sisodia
Raj Singh
RS
D000818:Animals; D013006:Growth Hormone / Q000096:biosynthesis; D006801:Humans; D057927:Hydrophobic and Hydrophilic Interactions; D008722:Methods; D008958:Models, Molecular; D016660:NAD(P)H Dehydrogenase (Quinone) / Q000378:metabolism; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis; D013871:Thiones / Q000737:chemistry* / Q000494:pharmacology
D013871:Thiones; D013006:Growth Hormone; D016660:NAD(P)H Dehydrogenase (Quinone)