QSAR studies on biological activity of piritrexim analogues against pc DHFR.
Quantitative structure-activity relationship (QSAR) studies for 2,6-substituted 2,4-diaminopyrido[3,2-d] pyrimidine analogues of piritrexim (PTX) as inhibitors of dihydrofolate reductase (DHFR) are now made using topological indices. The results have shown that best models are obtained by multiparametric analysis. The predictive potential of the model is discussed on the basis of a cross-validation method.
Computer and QSAR Laboratories, A.P.S. University, Rewa-486003, India.
Vijay K
VK
Agrawal
Rashmi
R
Sohgaura
Padmakar V
PV
Khadikar
D000429:Alcohol Oxidoreductases / Q000037:antagonists & inhibitors*; D000970:Antineoplastic Agents / Q000737:chemistry / Q000494:pharmacology; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000494:pharmacology; D006801:Humans; D020128:Inhibitory Concentration 50; D009894:Opportunistic Infections / Q000188:drug therapy; D011010:Pneumocystis / Q000201:enzymology; D011743:Pyrimidines / Q000737:chemistry* / Q000494:pharmacology; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis
D000970:Antineoplastic Agents; D004791:Enzyme Inhibitors; D011743:Pyrimidines; D000429:Alcohol Oxidoreductases; C056570:dihydroflavanol 4-reductase; C024530:piritrexim