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Table 2 14 target proteins for molecular docking

From: Quantitative modeling of dose–response and drug combination based on pathway network

Target

Protein name

UniProt ID

PDB ID

TLR4

toll-like receptor 4

O00206

4G8A

PGES

Prostaglandin E synthase

O14684

3DWW

TAK1

MAP3K7

O43318

2YIY

AP-1

Transcription factor AP-1

P05412

1FOS

NF-κB

Nuclear factor NF-kappa-B

P19838

3GUT

ERK

ERK-1

P27361

2ZOQ

COX-2

COX-2

P35354

3LN1*

JNK

c-Jun N-terminal kinase

P45983

3PZE

MKK4/7

mitogen-activated protein kinase kinase 4

P45985

3ALN

MKK3/6

mitogen-activated protein kinase kinase 6

P52564

3FME

p38

p38 MAP kinase

P53778

1CM8

MEK1/2

mitogen-activated protein kinase kinase 1

Q02750

3DY7

TRAF6:RIP1

RIP1

Q13546

4ITJ

TRAF6

TNF receptor-associated factor 6

Q9Y4K3

1LB5

  1. *The structure of COX-2 was modeled by computer homology modeling based on the structure of Mus musculus (PDB: 3LN1) by SWISS-MODEL [48], since there was no human structure available and the identities between the two proteins from human and Mus musculus was 87 %