Ligand-Based Pharmacophore Modeling and Virtual Screening of RAD9 Inhibitors

Table 1

Structural parameters of the model.

Protein	MHBD (Å)	MHBE	MHPh	MHPs	MCG^+	MCG^−	MRV (Å^3)	TV (Å^3)
BCL-2	2.2	−1.4	−65.4	−38.3	−66.5	64.5	132.2	31592.6
RAD9	2.2	−1.9	−65.1	−36.2	−64.9	67.6	140.7	37144.2

MHBD: mean hydrogen bond distance; MHBE: mean hydrogen bond energy; MHPh: mean helix phi; MHPs: mean helix psi; MCG⁺: mean chi gauche+; MCG⁻: mean chi gauche−; MRV: mean residue volume; TV: total volume (packing).