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.
Agrawal
Vijay K
VK
Computer and QSAR Laboratories, A.P.S. University, Rewa-486003, India.
Sohgaura
Rashmi
R
Khadikar
Padmakar V
PV
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