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.

In the present work, ligand-based drug design approach viz. consensus pharmacophoric analysis has been executed for antimycobacterial DprE1 inhibitory activity of substituted hydantoins to find out the associated important features for future optimizations. The methodology involves structure drawing, optimization, filed-based alignment and construction of pharmacophore model. The study point outs that H-bond donor and acceptor groups as well as aromatic rings are vital for the anti-malarial activity. The outcomes could be advantageous for optimization of 2anilino 4-amino substituted quinazolines as anti-malarial agents.

In the present work, important structural moieties that govern the anti-malarial activity (3D7) of 2-anilino 4-amino substituted quinazoline derivatives have been identified using consensus pharmacophore modeling. The method encompasses construction of pharmacophore modeling after optimization (MMFF94) followed by field-based alignment of most active three molecules. The study point outs that H-bond donor and acceptor groups as well as aromatic rings are vital for the anti-malarial activity. The outcomes could be advantageous for optimization of 2-anilino 4-amino substituted quinazolines as anti-malarial agents.