The top ten hits from molecular docking along with their structure, docking score and MMGBSA ΔG.

Compound	Structure	Docking score (kcal mol−1)	MMGBSA ΔG (kcal mol−1)
6943		−11.973	−62.97
34100		−11.312	−55.18
31140		−11.079	−49.53
12500		−11.060	−60.91
14178		−10.822	−53.09
7165		−10.927	−62.46
438		−10.846	−59.11
6450		−10.830	−55.45
19885		−10.823	−52.15
16021		−10.522	−61.09
Copanlisib		−3.941	−42.58