Table 4.

Interaction details of Dolutegravir and Raltegravir with 2′-OMTase.

S/No	DrugBank ID	HB	D (Å)	Pi-SR	D (Å)	vdWISR
1	Dolutegravir (DB08930)	Asp130 Tyr132 Lys170	2.45 2.94 1.95, 2.55	Met42 Leu100 Met131 Pro134	5.45 3.49 5.83 4.73	Asn43, Lys46, Gly71, Gly73, Ser74, Asp75, Asp99, Asn101, Glu203
2	Bictegravir (DB11799)	Asp130 Lys170 Asn198	2.43 2.28 2.15	Met42 Leu100 Met131 Pro134	4.34 4.46, 5.02 4.73 5.12, 5.17	Asn43, Lys46, Gly71, Asp99, Asn101, Tyr132, Asp133

Hydrogen Bond residues (HB), Distance (D), Pi-Interaction Sharing Residues (Pi-SR), and Van der Waals Interaction Sharing Residues (vdWISR).