. Author manuscript; available in PMC: 2011 Jul 15.

Published in final edited form as: Bioorg Med Chem. 2010 Jun 1;18(14):5148–5156. doi: 10.1016/j.bmc.2010.05.060

Table 3.

Selected Inhibitors of HisC

ID	G-score kcal/mol	MM- PBSA kcal/mol	MM- GBSA kcal/mol
HisC5	−15.02	−40.92	−49.55
HisC9	−14.50	−38.74	−43.95
HisC11	−14.25	−28.80	−35.94
HisC14	−13.84	−12.95	−35.13
HisC16	−13.70	−29.43	−37.33
HisC19	−13.53	−13.80	−26.48