Network pharmacology and molecular docking technology-based predictive study of the active ingredients and potential targets of rhubarb for the treatment of diabetic nephropathy

Table 3 The molecular docking details

Target	PDB IDs	Active compounds	Docking energy(KJ/mol)
PTGS2	5IKR	EUPATIN	−9.4
PTGS2	5IKR	Rhein	−9.7
PTGS2	5IKR	Toralactone	−9.3
PTGS2	5IKR	beta-sitosterol	−9.2
PTGS2	5IKR	aloe-emodin	−9.1
PTGS2	5IKR	(−)-catechin	−9.3
PTGS2	5IKR	Daucosterol_qt	−8.8
TP53	3DCY	EUPATIN	−7.9
TP53	3DCY	Rhein	−8.0
TP53	3DCY	Toralactone	−7.5
TP53	3DCY	beta-sitosterol	−7.9
TP53	3DCY	aloe-emodin	−8.3
TP53	3DCY	(−)-catechin	−7.8
TP53	3DCY	Daucosterol_qt	−8.2
MYC	5I4Z	EUPATIN	−6.1
MYC	5I4Z	Rhein	−6.6
MYC	5I4Z	Toralactone	−6.1
MYC	5I4Z	beta-sitosterol	−6.2
MYC	5I4Z	aloe-emodin	−6.7
MYC	5I4Z	(−)-catechin	−6.3
MYC	5I4Z	Daucosterol_qt	−6.6
CASP3	6X8I	EUPATIN	−7.5
CASP3	6X8I	Rhein	−8.1
CASP3	6X8I	Toralactone	−7.8
CASP3	6X8I	beta-sitosterol	−8.3
CASP3	6X8I	aloe-emodin	−7.5
CASP3	6X8I	(−)-catechin	−7.7
CASP3	6X8I	Daucosterol_qt	−8.2
CASP8	5H31	EUPATIN	−7.7
CASP8	5H31	Rhein	−7.9
CASP8	5H31	Toralactone	−7.2
CASP8	5H31	beta-sitosterol	−8.0
CASP8	5H31	aloe-emodin	−7.7
CASP8	5H31	(−)-catechin	−7.8
CASP8	5H31	Daucosterol_qt	−7.9
JUN	5FV8	EUPATIN	−6.3
JUN	5FV8	Rhein	−6.7
JUN	5FV8	Toralactone	−6.6
JUN	5FV8	beta-sitosterol	−6.4
JUN	5FV8	aloe-emodin	−6.4
JUN	5FV8	(−)-catechin	−6.4
JUN	5FV8	Daucosterol_qt	−6.6

ISSN: 2662-7671