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. 2021 Oct 3;13(10):1611. doi: 10.3390/pharmaceutics13101611

Table 4.

Theoretical affinity of selected ligands to tel26 and c-myc G4 structures calculated along MD trajectories.

Compound tel26 (MM-GBSA) kcal/mol ± SEM c-myc (MM-GBSA) kcal/mol ± SEM
Bulbocapnine −16.85 ± 0.43 −38.57 ± 0.35
Chelidonine −17.49 ± 0.31 −25.07 ± 0.42
Ibogaine −23.92 ± 0.34 −21.56 ± 0.71
Rotenone −4.47 ± 0.73 −9.47 ± 0.42
Vomicine −20.52 ± 0.33 −12.81 ± 0.49