Skip to main content

Table 2 Receptors and ligands in docking

From: Mechanisms of He Shi Yu Lin formula in treating premature ovarian insufficiency: insights from network pharmacology and animal experiments

MOL_ID

PDB ID

molecule_name

OB

MW

DL

Targets

Score kcal/mol

MOL009500

1byq

1,6-dihydroxy-5-methoxy-2-(methoxymethyl)-9,10-anthraquinone

104.54

314.31

0.34

HSP90AA1

-7.5

MOL000392

1jnm

formononetin

69.68

268.28

0.21

JUN

-7.1

MOL004328

2zoq

naringenin

59.29

272.27

0.21

MAPK3

-8.7

MOL000497

6njs

licochalcone A

40.79

338.43

0.28

STAT3

-6.6

MOL000098

1aie

quercetin

46.43

302.25

0.28

TP53

-6.5

  1. PDB Protein Data Bank, OB oral bioavailability, MW molecular weight, DL drug-likeness, JUN jun proto-oncogene, MAPK3 mitogen-activated protein kinase 3, HSP90AA1 heat shock protein 90 alpha family class A member 1, STAT3 signal transduction and activator of transcription, TP53 tumor protein P53