Table 2.

Results of molecular docking between the bioactive components and the core predicted targets.

Ligand	Proteins	Residues	Hydrogen bonds
Ohioensin-A	AR	Leu880, Asn705, Met780, Phe876, Leu704, Thr877, Leu701, Leu873, Val746, Trp741, Phe764, Gly708, Met745, Met749, Gln711, Met787	Met895 (3.1 Å)
	ESR1	Arg394, Leu391, Phe404, Leu384, Leu387, Glu353, Leu428, Ile424, Leu346, Ala350, Met421, Met343, Thr347, Leu540, Leu525	His524 (3.0 Å)
	MAPK3	Ser286, Pro285, Lys287, Gly262, Leu284, Asn255, Leu258	Ser263 (2.7 Å)
	AKT1	His194, Glu198, Gly294, Thr195, Lys179, Lys163, Leu181, Gly162, Val164, Gly159 and Phe161	Thr160 (3.1 Å)
	GAPDH	Ala183, Arg13, Asn316, Ile14, Cys152, Ala123	Gly100 (2.9 Å)
quercetin	AR	Thr877, Met780, Phe876, Leu701, Leu880, Asn705, Phe764, Leu704, Met 749, Met787, Gly708, Val746, Gln711, Leu707	Leu873 (2.7 Å), Met745 (3.1 Å)
	ESR1	Leu391, Phe404, Ala350, Ile424, Met421, His524, Leu525, Leu384, Leu349, Leu346 and Glu353	Leu387 (2.8 Å), Arg394 (3.3 Å), Arg394 (2.7 Å), Gly521 (2.5 Å)
	MAPK3	Lys287, Leu258, Leu284, Asn255, Gly259, Gly262	Pro285 (3.0 Å), Ser263 (2.8 Å)
	AKT1	Glu278, Lys276, Phe161, Glu191, His194, Gly294, Leu295, Asp292	Asp274 (2.9 Å), Ser7 (2.9 Å), Thr5 (3.0 Å)
	GAPDH	Pro36, Phe37, Thr99, Gly12, Ser98, Gly10, Asn9	Asp35 (2.8 Å), Asn34 (3.0 Å)
beta-sitosterol	AR	Phe891, Leu880, Leu701, Met780, Thr877, Trp741, Leu873, Met745, Met742, Met787, Met749, Arg752, Gln711, Val746, Gly708, Leu707, Leu704, Phe764, Met895	Asn705 (3.0 Å)
	ESR1	Arg394, Leu387, Leu391, Leu349, Leu428, Ile424, Met388, Met421, His524, Gly521, Leu384, Leu346, Leu525, Thr347, Met343, Ala350	Phe404 (3.1 Å), Glu353 (2.4 Å)
	MAPK3	Ser283, Pro285, Gly259, Leu258, Asn255, Leu284 and Tyr280	–
	AKT1	Asn279, Gly294, Leu295, Glu191, Phe161, His194, Leu181, Glu198, Lys179, Thr195, Asp292, Val164	Glu234 (3.0 Å)
	GAPDH	Phe37, Ile38, Ala183, Ile14, Glu317, Asn316, Thr182, Cys152, Tyr320, Arg13, Thr99, Gly12 and Ser98	Asp35 (3.1 Å)
sitosterol	AR	Thr877, Met780, Met895, Phe891, Leu880, Met742, Leu701, Leu873, Trp741, Val746, Met745, Met787, Met749, Leu707, Arg752, Gly708, Gln711, Phe764, Leu704	Asn705 (2.9 Å)
	ESR1	Leu387, Leu391, Leu428, Met388, Ile424, His524, Gly521, Leu384, Met421, Leu525, Trp383, Met343, Thr347, Leu346, Glu353, Ala350, Leu349	Arg394 (2.1 Å), Phe404 (3.1 Å)
	MAPK3	Tyr280, Asn255, Lys287, Pro285, Gly259, Leu258, Leu284, Ser283	–
	AKT1	Val164, Asn279, Glu191, Gly294, Leu295, Leu181, Glu198, His194, Phe161, Thr195, Lys179, Asp292	Glu234 (3.0 Å)
	GAPDH	Ser122, Ile14, Arg13, Ala183, Gly12, Asp35, Phe37, Ser98, Thr99	Cys152 (3.2 Å)