Ligand Based Pharmacophore Modeling and Virtual Screening Studies to Design Novel HDAC2 Inhibitors

Table 1

Statistical results of the generated pharmacophore models.

Hypo	Total cost	Cost difference^a	RMS	Error cost	Correlation	Max fit	Features
1	223.598	68.459	1.64	204.016	0.759	6.4	HBA HBD HYP RA
2	228.662	62.395	1.7	209.498	0.735	6.9	HBA HBD HYP RA
3	238.771	53.286	1.82	219.538	0.689	6.86	HBA HYP RA RA
4	240.0	52.057	1.84	220.97	0.682	7.16	HBA HYP RA RA
5	241.524	50.533	1.84	221.036	0.682	5.77	HBA HYP HYP RA
6	241.71	50.347	1.86	222.568	0.674	6.98	HBA HYP RA RA
7	242.261	49.796	1.86	222.428	0.675	6.25	HBA HYP RA RA
8	242.339	49.718	1.85	221.941	0.677	5.83	HBA HYP RA RA
9	244.381	47.676	1.89	225.13	0.662	6.84	HBA HYP RA RA
10	244.543	47.514	1.88	224.225	0.666	5.88	HBA HYP HYP RA

Null cost = 292.057; fixed cost = 158.138; configuration cost = 17.66.
^aCost difference = null cost − total cost.