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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