HIV-1 NRTI Drugs HIV-1 subtype C-Wild type Isolate SK-208 V118I, M184V, L210W, T215Y Isolate SK-206 V75M, V118I, M184V, L210W, T215Y Energy score H-bonding Interaction Energy score H-bonding Interaction DR Stanford Energy score H-bonding Interaction DR Stanford 3TC -23.26 Asp113, 1 with RNA primer -22.43 1 with RNA primer High -22.78 Arg72, 1 with RNA primer High ABC -22.70 Lys65, 2 with RNA primer -21.91 Asp113, 1 with RNA primer Intermediate -22.16 Lys65, 1 with RNA primer Intermediate AZT -24.62 Asp113, 2 with RNA primer -23.61 Asp113, Lys65, 1 with RNA primer Intermediate -22.74 Asp113, 1 with RNA primer Intermediate D4T -24.62 Asp113, 2 with RNA primer 23.11 Asp113, 1 with RNA primer Intermediate -24.57 Asp113, Lys65, 1 with RNA primer High DDI -25.93 Asp113, Arg72, 2 with RNA primer -22.69 Lys65, 2 with RNA primer Intermediate -24.21 Lys65, 2 with RNA primer Intermediate FTC 24.17 2 with RNA primer -23.06 Asp113, 2 with RNA primer High -23.63 Asp113, Arg72, 2 with RNA primer High TDF 21.21 Lys65, Asp113, 2 with RNA primer -21.2 Lys65, Asp113, 2 with RNA primer Low -21.18 Lys65, Arg72, Ala114, 2 with RNA primer Low

Table 3: NRTI mutagenic studies: Docking studies were performed on crystal structure PDB ID 1RTD. All drug molecules were docked with tri-phosphate into the active site of RT complex DNA template-primer. Modes of action of all nucleoside RT inhibitor are inhibition of RT via DNA chain termination after incorporation of the nucleotide analogue. The minimum estimated free energy of binding (Kcal/Mol) at 300K temperature for every docking procedure of RT inhibitor in circulating wild type HIV-1 subtype-C RT and the mutations.

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