Table 3.
S/No | DrugBank ID | HB | D (Å) | Pi-SR | D (Å) | vdWISR |
---|---|---|---|---|---|---|
1. | Paritaprevir (DB09297) | Ser46 | 2.33 | Met49 Leu50 Cys145 Pro168 | 5.27 3.85, 4.61 4.60 3.64 | Thr24, Thr25, Leu27, His41, Cys44, Thr45, Glu47, Phe140, Gly143, Glu166, Gln189 |
2. | Raltegravir (DB06817) | Thr24 Ser46 Asn142 Gly143 Glu166 | 2.53 2.47 2.39 2.11 2.59 | Thr25 Met49 Met165 | 3.93 4.87 5.14 | Thr26, Leu27, His41, Cys44, Thr45, Phe140, Ser144, Cys145 |
Hydrogen Bond residues (HB), Distance (D), Pi-Interaction Sharing Residues (Pi-SR), and Van der Waals Interaction Sharing Residues (vdWISR).