Table 2 Predicted targets for bioactive compounds in Krishnadi Churna.

From: Deciphering the multi-scale mechanism of herbal phytoconstituents in targeting breast cancer: a computational pharmacological perspective

No. of symptoms

Bioactive compounds

No. of targets

Targets

1

Resveratrol

29

APP, CYP19A1, ABCB1, CA12, CA14, CA9, CYP1A1, CYP1A2, CYP1B1, DPP4, XIAP, EGFR, ESR1, GLO1, MAPT, NFE2L2, ALOX5, PTGS1, PTGS2, PTK2B, NQO2, RELA, TRPA1, TTR

TUBB1, TUBB3, TPPP, TYR, LCK

2

Gallic acid

14

AKR1C3, FUT7, CA1, CA12, CA14, CA2, CA7, CA9, DRD1, EGFR, SERPINE1, GALNT2, TTR, PLAU

3

Piperine

8

ACHE, MAOA, MAOB, BCHE, HDAC1, SIGMAR1, TRPM8, TRPV1

4

Quercetin

90

HSD17B1, HSD17B2, ACHE, ADORA2A, ADORA3, AKR1B1, AKR1C3, SNCA, MAOA, MAOB, AR, CYP19A1, AHR, ABCB1, AURKB, NTRK2, BACE1, ABCG2, CA12, CA2, CA4, CA7, CBR1, CSNK2A1, CSNK2A3, CISD1, CDK6, CDK1, CDK2, CDK5R1, CCNT1, CFTR, CYP1A1, CYP1A2, CYP1B1, CYP2D6, OPRD1, DPP4, TOP1, TOP2A, APEX1, DYRK1A, ELAVL3, EGFR, ESR1, ESR2, GSK3B, MET, IP6K2, IGF1R, GLO1, ACP1, GAA, MMP12, MKNK1, MKNK2, KIT, MMP9, NOX4, NR0B1, PSIP1, PPARA, PIK3CG, PGF,

PARP1, TNKS, TNKS2, ALOX12, ALOX15, ALOX15B, PTGS1, PTGS2

PSMB1, F2, FLT3, PTPRS, PIM1, TRPC5, SI, TERT, TST, TTR, TYR, LCK, AXL, YES1, PTPN1, VEGFA, KDR, XDH

5

Beta-sitosterol

27

HMGCR, CRYAA, CRYAB, AR, CYP19A1, NR1H4, F10, DHCR24, ESR1, ESR2, GPR183, GRIN1, GRIN2A, GRIN2B, ITGB3, GAA, RORC, OSBP2, NR1H3, NR1H2, F2, SHBG, CYP17A1, SREBF2, PTPN1, PTPN2, VDR

6

Resveratrol + gallic acid

5

CA14, CA9, CA12, EGFR, TTR

7

Resveratrol + piperine

0

 

8

Resveratrol + quercetin

15

CYP19A1, ABCB1, CYP1A1, CYP1A2, CYP1B1, DPP4, ESR1, GLO1, PTGS1, PTGS2, TYR, LCK, CA12, EGFR, TTR

9

Resveratrol + beta-sitosterol

2

CYP19A1, ESR1

10

Gallic acid + piperine

0

 

11

Gallic acid + quercetin

6

AKR1C3, CA2, CA7, CA12, EGFR, TTR

12

Gallic acid + beta-sitosterol

0

 

13

Piperine + quercetin

3

ACHE, MAOA, MAOB

14

Piperine + beta-sitosterol

0

 

15

Quercetin + beta-sitosterol

7

AR, CYP19A1, ESR1, ESR2, GAA, F2, PTPN1

16

Resveratrol + gallic acid + piperine

0

 

17

Resveratrol + gallic acid + quercetin

3

CA12, EGFR, TTR

18

Resveratrol + gallic acid + beta-sitosterol

0

 

19

Resveratrol + piperine + quercetin

0

 

20

Resveratrol + piperine + beta-sitosterol

0

 

21

Resveratrol + quercetin + beta-sitosterol

2

CYP19A1, ESR1

22

Gallic acid + piperine + quercetin

0

 

23

Gallic acid + piperine + beta-sitosterol

0

 

24

Gallic acid + quercetin + beta-sitosterol

0

 

25

Piperine + quercetin + betasitosterol

0

 

26

Resveratrol + gallic acid + piperine + quercetin

0

 

27

Resveratrol + piperine + quercetin + beta-sitosterol

0

 

28

Resveratrol + gallic acid + quercetin + beta-sitosterol

0

 

28

Resveratrol + gallic acid + piperine + beta-sitosterol

0

 

30

Gallic acid + piperine + quercetin + beta-sitosterol

0

 

31

Resveratrol + gallic acid + piperine + quercetin + beta-sitosterol

0