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. 2020 Apr 20:1–14. doi: 10.1080/07391102.2020.1753577

Table 3.

Interaction details of Paritaprevir and Raltegravir with 3CLpro.

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).