Table 2. Glide XP Dock Scores and Prime MMGBSA−ΔG_bind Scores.

entry	XP GScore (kcal/mol)	MMGBSA ΔGbind (kcal/mol)
4a	–4.340	–45.07
4b	–4.838	–62.30
4c	–4.128	–38.55
4d	–4.699	–42.64
4e	–4.169	–42.75
4f	–3.997	–41.98
4g	–5.933	–68.57
4h	–4.628	–42.99
4i	–4.151	–43.61
4j	–5.052	–48.61
4k	–4.427	–63.31
4l	–4.295	–45.27
4m	–3.982	–47.09
4n	–4.079	–44.75
4o	–4.574	–45.36
griseofulvin	–4.064	–41.41