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. Author manuscript; available in PMC: 2014 Jul 15.
Published in final edited form as: Curr Opin Virol. 2013 Apr 19;3(2):111–118. doi: 10.1016/j.coviro.2013.03.012

Figure 4.

Figure 4

Wiggling and jiggling of an NNRTI to retain potency against drug-resistance mutations. (a) Chemical structure of rilpivirine; the five torsionally flexible bonds define the conformational freedom of the NNRTI. (b) Thermal ellipsoid representation of rilpivirine drawn using the anisotropic B-factors of individual atoms from 1.5 Å resolution structure of RT-rilpivirine complex (PDB ID 4G1Q) [25•]. The interacting side chains and water molecules (red) are displayed. (c & d) Comparison of the binding modes of rilpivirine to wild-type RT (gray) vs. L100I + K103N mutant RT (cyan) revealed how the drug jiggle and wiggles, respectively, to evade the effects of drug-resistance mutations [23•]; the mutations modifies the side chains from yellow to orange.