Table 2.

In silico docking study of heliomycin (1) and tetracenomycin D (2) with HDAC1, HDAC2, and HDAC 3

HDAC member	Compound	Docking score kcal/mol	Hydrogen bond interactions
HDAC1	Heliomycin	− 3.974	Lys331(A) and Arg279(B)
	Tetracenomycin D	− 4.678	Lys331(A) and Thr333(A)
HDAC2	Heliomycin	− 4.977	Glu 208(A)
	Tetracenomycin D	− 5.230	Glu 208(A), Glu 340(B) and Tyr 338(B)
HDAC3	Heliomycin	− 5.183	Glu 347(A)
	Tetracenomycin D	− 6.361	Arg 345(A), Gln 71 (B), Glu 102 (B) and Gly 452(D)