Table 5.
Results of docking studies for reported pyrazole-4-carboxylic acid molecules and their binding interactions with residues within 3 Å radius.
Reference compound | Number of hydrogen bonds | Hydrogen bond distance | Functional group of compounds | Functional group of amino acids | Residue number |
---|---|---|---|---|---|
R4 | 1 | 2.280 | –N | –OH | Ser289 |
R5 | 1 | 2.639 | –C=O | –OH | Ser289 |
R6 | 1 | 2.659 | –CN | –NH | Ser342 |
R7 | 1 | 2.138 | –O–CH3 | –OH | Tyr473 |
R8 | 1 | 2.824 | –OH | –C=O | Leu340 |
R9 | 2 | 2.606 | –OH | –O–C=O | Glu291 |
2.067 | –NH | –C=O | Gln271 | ||
R10 | 1 | 2.324 | –C=O | –OH | Ser289 |