Receptor Anayte △Ga S(hb_ex) S(vdw_ext) S(hb_int) S(int) △△Gb CDMPC SS 16.85 0.00 46.55 0.00 -47.12 -0.04 CDMPC RS 16.89 1.04 53.79 0.00 -58.15 CDMPC RR -17.06 0.00 26.13 0.00 -53.62 -33.0 a. Binding free energies derived from Gold 3.0.1 b. Binding free energy difference between the (R) - and (S)-enantiomes complexes, where △△G= △GR –△GS, negative △△G = S>R while positive △△G= R>S.

Table 6: Binding energy and binding energy difference obtained from Gold docking between CDMPC and Atracurium besylate isomers.