Systems pharmacology to investigate the interaction of berberine and other drugs in treating polycystic ovary syndrome



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Systems pharmacology to investigate the interaction of berberine and other drugs in treating polycystic ovary syndrome

Yu Wang1, Xin Fu, Jing Xu1, Qiuhong Wang1* & Haixue Kuang1*



1 Key Laboratory of Chinese Materia Medica (Ministry of Education), Heilongjiang University of Chinese Medicine, 150040, Harbin, P.R. China.

* Qiuhong Wang: 2872144234 @qq.com; Haixue Kuang: hxkuang56@163.com



Table S1. Candidate targets of PCOS

Protein name

GENE name

Canalicular multispecific organic anion transporter 1

ABCC2

ATP-binding cassette sub-family C member 8

ABCC8

Acetyl-CoA carboxylase 2

ACACB

ATP-citrate synthase

ACLY

Adenosine receptor A1

ADORA1

Alpha-1A adrenergic receptor

ADRA1A

Alpha-1B adrenergic receptor

ADRA1B

Alpha-2A adrenergic receptor

ADRA2A

Alpha-2C adrenergic receptor

ADRA2C

Beta-1 adrenergic receptor

ADRB1

Beta-2 adrenergic receptor

ADRB2

Beta-3 adrenergic receptor

ADRB3

Agouti-related protein

AGRP

Aldo-keto reductase family 1 member C3

AKR1C3

Androgen receptor

AR

Bombesin receptor subtype-3

BRS3

Carbonic anhydrase 6

CA6

Cholecystokinin

CCK

Cholecystokinin receptor type A

CCKAR

Gastrin/cholecystokinin type B receptor

CCKBR

CCAAT/enhancer binding protein beta

CEBPB

Chloride transport protein 6

CLCN6

Cannabinoid receptor 1

CNR1

Ciliary neurotrophic factor receptor subunit alpha

CNTFR

Carnitine O-palmitoyltransferase 1, liver isoform

CPT1A

Corticotropin-releasing factor binding protein

CRHBP

Corticotropin-releasing factor receptor 1

CRHR1

Corticotropin-releasing factor receptor 2

CRHR2

Steroid 17-alpha-hydroxylase/17,20 lyase

CYP17A1

Diacylglycerol O-acyltransferase 1

DGAT1

Dipeptidyl peptidase 4

DPP4

D(2) dopamine receptor

DRD2

Estrogen receptor

ESR1

Steroid hormone receptor ERR1

ESRRA

Fatty acid-binding protein, epidermal

FABP5

Fatty acid synthase

FASN

Fetuin-B

FETUB

Follicle-stimulating hormone receptor

FSHR

Glucose-6-phosphate 1-dehydrogenase

G6PD

Gamma-aminobutyric acid receptor subunit alpha-1

GABRA1

Galanin receptor type 1

GALR1

Galanin receptor type 2

GALR2

Galanin receptor type 3

GALR3

Glucagon receptor

GCGR

Glucokinase

GCK

Growth hormone receptor

GHR

Gastric inhibitory polypeptide

GIP

Glucagon-like peptide 1 receptor

GLP1R

Glutamate receptor ionotropic, NMDA 1

GRIN1

Histone deacetylase 4

HDAC4

Histamine H3 receptor

HRH3

Histamine H4 receptor

HRH4

Corticosteroid 11-beta-dehydrogenase isozyme 1

HSD11B1

3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2

HSD3B2

5-hydroxytryptamine receptor 1A

HTR1A

5-hydroxytryptamine receptor 2C

HTR2C

5-hydroxytryptamine receptor 3A

HTR3A

Insulin-like growth factor 1 receptor

IGF1R

Interleukin-1 beta

IL1B

Insulin receptor

INSR

Insulin receptor substrate-1

IRS1

Leptin

LEP

Leptin receptor

LEPR

Lutropin-choriogonadotropic hormone receptor

LHCGR

Lipase

LIP

Hormone-sensitive lipase

LIPE

Lipase member I

LIPI

Lysophosphatidylcholine acyltransferase 1

LPCAT1

Low-density lipoprotein receptor-related protein 6

LRP6

Mitogen-activated protein kinase 14

MAPK14

Mitogen-activated protein kinase 8

MAPK8

Mitogen-activated protein kinase 9

MAPK9

Ghrelin O-acyltransferase

MBOAT4

Melanocyte-stimulating hormone receptor

MC1R

Melanocortin receptor 3

MC3R

Melanocortin receptor 4

MC4R

Melanin-concentrating hormone receptor 1

MCHR1

Melanin-concentrating hormone receptor 2

MCHR2

Methionine aminopeptidase 2

METAP2

Motilin receptor

MLNR

Methylenetetrahydrofolate reductase

MTHFR

Arylamine N-acetyltransferase 2

NAT2

Nicastrin

NCSTN

Pro-neuropeptide Y

NPY

Neuropeptide Y receptor type 1

NPY1R

Neuropeptide Y receptor type 2

NPY2R

Neuropeptide Y receptor type 4

NPY4R

Neuropeptide Y receptor type 5

NPY5R

Nuclear receptor subfamily 1 group I member 3

NR1I3

Glucocorticoid receptor

NR3C1

Ornithine decarboxylase 1

ODC1

Opioid growth factor receptor

OGFR

Kappa-type opioid receptor

OPRK1

Mu-type opioid receptor

OPRM1

Progesterone receptor

PGR

Cytosolic phospholipase A2

PLA2G4A

Perilipin-1

PLIN1

Phospholipid transfer protein

PLTP

Pancreatic triacylglycerol lipase

PNLIP

Peroxisome proliferator activated receptor alpha

PPARA

Peroxisome proliferator activated receptor delta

PPARD

Peroxisome proliferator activated receptor gamma

PPARG

Protein phosphatase 1 regulatory subunit 3A

PPP1R3A

5'-AMP-activated protein kinase catalytic subunit beta-1

PRKAB1

cAMP-dependent protein kinase type II-beta regulatory subunit

PRKAR2B

Presenilin-1

PSEN1

Presenilin-2

PSEN2

Gamma-secretase subunit PEN-2

PSENEN

Prostaglandin G/H synthase 1

PTGS1

Tyrosine-protein phosphatase non-receptor type 1

PTPN1

Peptide YY

PYY

Retinoic acid receptor RXR-alpha

RARA

Retinoic acid receptor gamma

RARG

RNA-binding protein 28

RBM28

Sterol regulatory element binding protein cleavage-activating protein

SCAP

Corticosteroid-binding globulin

SERPINA6

Solute carrier family 22 member 1

SLC22A1

Long-chain fatty acid transport protein 1

SLC27A1

Sodium/glucose cotransporter 2

SLC5A2

Solute carrier organic anion transporter family member 1B1

SLCO1B1

3-oxo-5-alpha-steroid 4-dehydrogenase 1

SRD5A1

3-oxo-5-alpha-steroid 4-dehydrogenase 2

SRD5A2

Thyroid hormone receptor beta

THRB

Enteropeptidase

TMPRSS15

Tumor necrosis factor

TNF

Tripeptidyl-peptidase 2

TPP2

Mitochondrial brown fat uncoupling protein 1

UCP1

Mitochondrial uncoupling protein 2

UCP2

Mitochondrial uncoupling protein 3

UCP3

Protein Wnt-4

WNT4

Table S2. Pathway enriching result of candidate targets

Pathway name

GENE name

Neuroactive ligand-receptor interaction

ADORA1




ADRA1A




ADRA1B




ADRA2A




ADRA2C




ADRB1




ADRB2




ADRB3




BRS3




CCKAR




CCKBR




CNR1




CRHR1




CRHR2




DRD2




FSHR




GABRA1




GALR1




GALR2




GALR3




GCGR




GHR




GLP1R




GRIN1




HRH3




HRH4




HTR1A




HTR2C




LEP




LEPR




LHCGR




MC1R




MC3R




MC4R




MCHR1




MCHR2




MLNR




NPY1R




NPY2R




NPY5R




NR3C1




OPRK1




OPRM1




THRB

Adipocytokine signaling pathway

ACACB




AGRP




CPT1A




IRS1




LEP




LEPR




MAPK8




MAPK9




NPY




PPARA




PRKAA1




TNF

Insulin signaling pathway

ACACB




FASN




GCK




INSR




IRS1




LIP




MAPK8




MAPK9




PRKAA1




PRKAR2B




PPP1R3A




PTPN1

PPAR signaling pathway

CPT1A




FABP5




PLIN1




PPARA




PPARD




PPARG




PLTP




UCP1




SLC27A1

Steroid hormone biosynthesis

AKR1C3




CYP27B1




HSD3B2




HSD11B1




SRD5A1




SRD5A2

Type II diabetes mellitus

ABCC8




GCK




INSR




IRS1




MAPK8




MAPK9




TNF

Calcium signaling pathway

HTR2C




ADRA1A




ADRA1B




ADRB1




ADRB2




ADRB3




CCKAR




CCKBR




GRIN1




LHCGR

Androgen and estrogen metabolism

HSD3B2




HSD11B1




SRD5A1




SRD5A2

Notch signaling pathway

NCSTN




PSEN1




PSEN2




PSENEN

Progesterone-mediated oocyte maturation

IGF1R




MAPK14




MAPK8




MAPK9




PGR

NOD-like receptor signaling pathway

IL1B




MAPK14




MAPK8




MAPK9




TNF

Fc epsilon RI signaling pathway

MAPK14




MAPK8




MAPK9




PLA2G4A




TNF

Alzheimer's disease

GRIN1




IL1B




PSEN1




PSEN2




PSENEN




TNF




NCSTN

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