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Please use this identifier to cite or link to this item: http://hdl.handle.net/123456789/17132

Title: Non-classical antifolates. Part 2: synthesis, biological evaluation, and molecular modeling study of some new 2,6-substituted-quinazolin-4-ones.
Authors: Fatmah A M Al-Omary
Laila A Abou-Zeid
Mahmoud N Nagi
El-Sayed E Habib
Adel S El-Azab
Issue Date: 2010
Publisher: Bio Med Chem
Abstract: A new series of 2,6-substituted-quinazolin-4-ones was designed, synthesized, and evaluated for their in vitro DHFR inhibition, antimicrobial, and antitumor activities. Compounds 22, 33-37, 39-43, and 45 proved to be active DHFR inhibitors with IC(50) range of 0.4-1.0microM. Compound 18 showed broad-spectrum antimicrobial activity comparable to the known antibiotic gentamicin. Compounds 34 and 36 showed antitumor activity at GI(50) (MG-MID) concentrations of 11.2, and 24.2microM, respectively. Molecular modeling study including flexible alignment; electrostatic, hydrophobic mappings; and pharmacophore prediction were performed. A main featured pharmacophore model was developed which justifies the importance of the main pharmacophoric groups as well as of their relative distances. The substitution pattern and spatial considerations of the pi-systems in regard to the quinazoline nucleus proved critical for biological activity. Copyright 2010 Elsevier Ltd. All rights reserved. DOI: 10.1016/j.bmc.2010.03.019
URI: http://hdl.handle.net/123456789/17132
Appears in Collections:College of Pharmacy

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