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Table 2 Binding scores and amino acid interactions of the docked compounds on the active site of arginine methyltransferase (PRMT1)

From: Dapson in heterocyclic chemistry, part VIII: synthesis, molecular docking and anticancer activity of some novel sulfonylbiscompounds carrying biologically active 1,3-dihydropyridine, chromene and chromenopyridine moieties

Compound no.

S Kcal/Mol

Amino acid interactions

H bond length Ao

2

-20.0584

Lys 127, His 293

2.65, 2.81

3

-13.8464

Lys 127, Arg 327

2.39, 2.96

4

-17.2063

Lys 127, Arg 327

2.42-2.39, 2.45

5

-13.6909

Lys 127, His 45, Arg 327

2.57, 2.95, 2.36

6

-18.0294

Arg 327

2.45-3.02

7

11.0959

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8

-15.9006

Lys 127, Arg 327

2.40, 2.30

9

-5.1052

His 45, Glu 153, Arg 327

2.75, 1.65, 2.36

10

-17.1347

Lys 127, Glu 153, His 45

2.75, 1.58, 2.87

11

-12.0837

Asn 167

2.65

12

-19.6261

Lys 127, Arg 327

2.59-2.84, 2.85

13

-15.7402

Lys 127, Glu 153, Arg 327

2.47, 1.93, 2.44

14

-20.4078

Asn 157, Lys 127

3.18, 2.66-2.79

15

-18.8629

Gln 163, Lys 127

2.22, 2.42-3.23

16

14.8212

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17

-20.6494

Asn 157, His 45, Lys 127

3.24, 3.21, 2.68

18

6.1835

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19

10.1989

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20

-17.2838

Lys 127

2.51

21

-17.6535

Lys 127

2.51, 2.86

22

-15.4395

Arg 327, Glu 144

2.79, 1.47

23

-19.4615

Lys 127

2.54, 2.52

24

-23.0582

Arg 327, Lys 127, Glu 130

2.51-2.46, 2.75, 1.36