Table 5. Change in Accessible surface area and binding interactions of the site II amino acid residues of HSA with uremic toxin creatinine.
| Ligands | Amino acid residue | ΔASA (Å2) | Location | Electrostatic Interaction | Number of other interacting residues (5 Å) | GOLD Fitness score | X-score |
| Creatinine | Tyr 411Phe 488Glu 489 | 35.6626.3810.27 | IIa-h2IIIa-h6IIIa-h4 | Repulsive forceC = O…N3Phe488(2.62 Å) | 7 | 29.14 | −5.55 |
| Diazepam | Leu 453Asn 391Ile 388Leu 387Leu 430Arg 485Ala 449 | 31.1328.2723.9318.4616.6214.6713.73 | IIIa-h4IIIa-h1IIIa-h1IIIa-h1IIIa-h3IIIa-h6IIIa-h4 | 15 | 41.10 | −8.43 | |
| Ibuprofen | Leu 453Val 485Asn 391Leu 387Ile 388Pro 384Glu 450 | 28.2227.5521.8219.416.8510.7910.79 | IIIa-h4IIIa-h6IIIa-h1IIIa-h1IIIa-h1IIIa-h1IIIa-h4 | 13 | 42.74 | −7.29 |