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Ribonuclease H/DNA Polymerase HIV-1 Reverse Transcriptase Dual Inhibitor: Mechanistic Studies on the Allosteric Mode of Action of Isatin-Based Compound RMNC6

Fig 5

Putative binding mode of RMC6 and critical residues individuated for RMNC6 binding in the pocket 1.

(A) binding mode; (B) 2D depiction of RMNC6 and its respective interactions with RT residues: pale yellow sphere indicates hydrophobic interactions with lipophilic residues. Red arrow indicates an hydrogen bond (HB) acceptor interaction, green HB donor, while the violet sphere represents the aromatic π-π stacking interaction.

Fig 5

doi: https://doi.org/10.1371/journal.pone.0147225.g005