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Future Journal of Pharmaceutical Sciences

Table 3 Hydrogen bonding details between the protein receptor and six of the most active derivatives

From: Pharmacokinetic predictions and docking studies of substituted aryl amine-based triazolopyrimidine designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH)

  

H-binding ligand

 

H-binding receptor

 

Name

H-bond(s)

Element

Type

Residue

Element

Type

H-bond distance (Å)

D16

1

H

D

Leu359

O

A

2.2874

D2

2

N

A

Tyr356

H

D

2.1268

  

H

D

Pro52

O

A

2.0042

D10

2

O

A

His56

H

D

2.1519

  

N

A

Arg136

H

D

2.2784

D11

1

N

A

Arg136

H

D

1.6277

D7

3

N

A

Tyr356

H

D

2.1607

  

H

D

Tyr147

O

A

2.1484

  

H

D

Pro52

O

A

2.3053

D9

1

N

A

Arg136

H

D

1.6080

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