Quinazolines, QSAR

Four different QSAR were derived for the inhibition of DHFR from rat liver, human leukemia, mouse L1210, and bovine liver by 2,4-diamino, 5-Y, 6-Z-quinazolines (Fig. 1.3) (202, 213-215). A comparison of their QSAR presents an interesting study on the importance of spanned space in delineating enz37me-recep-tor interactions. 

The presence of a substituted amino group at position 2 contributes to protonability and stabilization of the charge on the N whereas is not mandatory for activity [39], as supported in Table 1 by the data for abanoquil, a very potent but non subtype-selective a,-blocker, in conq)arison to its quinazoline analogue 1 [37], The modelling and QSAR for a series of quinazoline derivatives has recently been published [40],... 

Srivastava B, Shukla JS, PrabhakarYS, Saxena AK (1991) Synthesis and QSAR of 2,3,6,8-substituted l,3-quinazolin-4(3H)-ones as potential anthelmintics. Indian J Chem 30B 332 339... 

A set of 30 quinazoline derivatives reported as thymidylate synthetase inhibitors [17] was used to test the performance of the GUSAR in QSAR. The set consists of diverse substituents from electron donating to electron withdrawing groups located at several positions in the bicyclic and acyclic core as shown in Table 21.6. 

Using QSAR-methodology on basis GUSAR program statistically sound and thoroughly validated consensus model for thymidylate synthetase inhibitors, that are quinazoline derivatives, is obtained. The six parametric model has following statistical characteristics N=30, R2=0.926, F=34.093, SD=0.247, Q2=0.884, V=6. It was... 

QSAR of EGFR inhibitory activity of quinazoline analogues... 

Deeb, O. and Clare, B.W. (2008a) QSAR of aromatic substances EGFR inhibitory activity of quinazoline Analogues, / Enz. Inhib. Med. Chem. 23, 763-775. 

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