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In the present work, extensive and consensus pharmacophore modeling has been performed to find the key structural features required for Human Cellular Cytotoxicity (HepG2) activity for congeneric 2-anilino 4-amino substituted quinazolines. The methodology involves field-based alignment of most active three molecules followed generation of pharmacophore modeling. The analysis reveals that H-bond donor and acceptor groups as well as aromatic rings are important for the activity profile. The results could be beneficial for future optimization of 2-anilino 4amino substituted quinazolines.

Consensus Pharmacophore Modeling Analysis for Human Cellular Cytotoxicity (Hepg2) Activity of 2-Anilino 4-Amino Substituted Quinazolines.