Network pharmacology and experimental validation methods to reveal the active compounds and hub targets of Curculigo orchioides Gaertn in rheumatoid arthritis

Table 2 Information on the molecular docking

Ingredients	Target protein	PDB ID	Docking score kcal/mol
Caffeine	MMP9	4H1Q	− 6.3
Caffeine	JUN	5AEP	− 6.3
Caffeine	PTGS2	5F19	− 6.4
Caffeine	BDNF	1B8M	− 4.4
Caffeine	PTPRC	5FMV	− 4.2
2,4-Dichloro-5-methoxy-3-methylphenol	MMP9	4H1Q	− 6.1
2,4-Dichloro-5-methoxy-3-methylphenol	JUN	5AEP	− 6.2
2,4-Dichloro-5-methoxy-3-methylphenol	PTGS2	5F19	− 6.2
2,4-Dichloro-5-methoxy-3-methylphenol	BDNF	1B8M	− 4.1
2,4-Dichloro-5-methoxy-3-methylphenol	PTPRC	5FMV	− 4.2
Orcinol glucoside	MMP9	4H1Q	− 8.0
Orcinol glucoside	JUN	5AEP	− 8.2
Orcinol glucoside	PTGS2	5F19	− 8.4
Orcinol glucoside	BDNF	1B8M	− 5.5
Orcinol glucoside	PTPRC	5FMV	− 5.3
Curculigoside	MMP9	4H1Q	− 8.3
Curculigoside	JUN	5AEP	− 9.3
Curculigoside	PTGS2	5F19	− 7.6
Curculigoside	BDNF	1B8M	− 6.2
Curculigoside	PTPRC	5FMV	− 6.5
Orcin	MMP9	4H1Q	− 6.7
Orcin	JUN	5AEP	− 5.5
Orcin	PTGS2	5F19	− 6.1
Orcin	BDNF	1B8M	− 4.7
Orcin	PTPRC	5FMV	− 4.3

ISSN: 1749-799X