Exploring the Antiovarian Cancer Mechanisms of Salvia Miltiorrhiza Bunge by Network Pharmacological Analysis and Molecular Docking

Table 3

Molecular docking results.

Target name	PDB ID	Compound	Mol ID	Binding energy
HSP90AA1	5FWK	1-methyl-8,9-dihydro-7H-naphtho[5,6-g]benzofuran-6,10,11-trione	MOL007127	-7.11
HSP90AA1	5FWK	Epidanshenspiroketallactone	MOL007105	-6.88
HSP90AA1	5FWK	dihydrotanshinoneI	MOL007101	-6.57
HSP90AA1	5FWK	Neocryptotanshinone ii	MOL007124	-5.87
HSP90AA1	5FWK	Luteolin	MOL000006	-4.54
HSP90AA1	5FWK	2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofurancarboxaldehyde	MOL007050	-4.12
PIK3CG	2A4Z	1-methyl-8,9-dihydro-7H-naphtho[5,6-g]benzofuran-6,10,11-trione	MOL007127	-7.99
PIK3CG	2A4Z	dihydrotanshinoneI	MOL007101	-7.78
PIK3CG	2A4Z	Luteolin	MOL000006	-6.51
CDK2	2CCH	Epidanshenspiroketallactone	MOL007105	-8.35
CDK2	2CCH	Neocryptotanshinone ii	MOL007124	-7.89
CDK2	2CCH	Miltionone I	MOL007119	-7.42
CDK2	2CCH	Isotanshinone II	MOL007111	-7.28
CDK2	2CCH	2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofurancarboxaldehyde	MOL007050	-4.36
GSK3B	4AFJ	Miltionone I	MOL007119	-6.77
GSK3B	4AFJ	Isotanshinone II	MOL007111	-6.7
GSK3B	4AFJ	Neocryptotanshinone ii	MOL007124	-6.32
GSK3B	4AFJ	2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofurancarboxaldehyde	MOL007050	-4
RELA	1NFI	Cryptotanshinone	MOL007088	-7.06
RELA	1NFI	Tanshinone iia	MOL007154	-6.44
RELA	1NFI	Luteolin	MOL000006	-5.59
TP53	2K8F	Tanshinone iia	MOL007154	-5.4
TP53	2K8F	Luteolin	MOL000006	-3.75
CDKN1A	2ZVW	Tanshinone iia	MOL007154	-5.71
CDKN1A	2ZVW	Luteolin	MOL000006	-4.63
BCL2L1	4CIN	Cryptotanshinone	MOL007088	-6.12
BCL2L1	4CIN	Luteolin	MOL000006	-3.89
CCND1	2 W96	Cryptotanshinone	MOL007088	-7.56
CCND1	2 W96	Luteolin	MOL000006	-4.93
IL2	7AH1	Luteolin	MOL000006	-4.38

Molecular docking results between representative SMB active ingredients and the PI3K-Akt signaling pathway targets. And it listed the binding energy.