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Table 3 Four categories of disease targets of the selected compounds from profiling

From: In silico profiling for secondary metabolites from Lepidium meyenii (maca) by the pharmacophore and ligand-shape-based joint approach

Target

No. of hit compound

Drugsa

Osteoporosis

 

ABL1

2

Nilotinib, saracatinib, regorafenib

ER-α

4

17-α-ethinylestradiol, fulvestrant, β-estradiol

CSF1R

2

Nilotinib, sunitinib, pazopanib

MMP3

1

Marimastat

C-src

2

Dasatinib, AZM-475271, saracatinib,

MMP9

1

 

MMP13

3

Marimastat

CDK9

1

BMS-387032, alvocidib

Prostate cancer

Hsp90-α

15

Alvespimycin, retaspimycin, luminespib

MMP3

1

Marimastat

MET

1

Crizotinib, tivantinib, cabozantinib

AR

3

Testosterone enanthate, enzalutamide, 1-testosterone

MMP9

1

 

RXR-α

4

Etretinate, tretinoin, bexarotene

MMP12

4

Marimastat

MMP13

3

Marimastat

MAP2K1

3

Selumetinib, trametinib, dabrafenib

Kidney diseases

MMP9

1

 

CA2

11

Ethoxyzolamide, dichlorphenamide, brinzolamide

P450scc

22

 

MET

1

Crizotinib, tivantinib, cabozantinib

MIF

1

 

sEH

2

 

PPAR-γ

20

Icosapent, amlodipine/telmisartan, aleglitazar,

MMP12

4

Marimastat

KIF11

23

 

MAPK14

19

Talmapimod, RO-3201195

CA9

1

Girentuximab, methazolamide, hydrochlorothiazide

Cardiovascular diseases

JAK2

19

Tofacitinib, ruxolitinib

F2

8

Enoxaparin, desirudin, dabigatran etexilate

F10

15

Dalteparin, heparin, enoxaparin

REN

1

Aliskiren, aliskiren/valsartan, aliskiren/amlodipine

CA1

1

Ethoxyzolamide, dichlorphenamide, brinzolamide

ER-α

4

17-α-ethinylestradiol, fulvestrant, β-estradiol

MMP3

1

Marimastat

LTA4H

3

 

THR-β

1

Amiodarone, levothyroxine, dextrothyroxine,

FGFR1

16

Pazopanib, nintedanib, regorafenib

PLA2G2A

7

Varespladib methyl, varespladib, indomethacin

FLT1

3

Sunitinib, pazopanib, axitinib

FGFR2

2

Nintedanib, regorafenib, dexamethasone/thalidomide

CDK2

26

BMS-387032, alvocidib

EPHX2

2

 

KDR

8

Sunitinib, cediranib, pazopanib

PPAR-γ

20

Icosapent, amlodipine/telmisartan, aleglitazar,

MMP12

4

Marimastat

MMP13

3

Marimastat

PIK3CG

12

Dactolisib, buparlisib,

GSK3-β

2

Enzastaurin

CDK9

1

BMS-387032, alvocidib

MAPK10

7

 

NR1H2

4

 

DHODH

7

Teriflunomide, leflunomide

PPAR-δ

8

Treprostinil, icosapent, bezafibrate

PPAR-α

2

Choline fenofibrate, aleglitazar, gemfibrozil

MAPK14

19

Talmapimod, RO-3201195

NR1H4

1

 
  1. aAll drug information was obtained from IPA analysis and Drugbank