Parameters of Reserpine Analogs That Induce MSH2/MSH6-Dependent Cytotoxic Response

Figure 4

Structures of reserpine and rescinnamine derivatives are shown on the left and their corresponding predicted (calculated, as described in Section 2) binding constants and partition coefficients are displayed on the right. Derivatives are subdivided into their predicted binding modes: (a) flipped; (b) mismatch-like; and (c) nonspecific or altered (see also Figure 5).

(a) Flipped Conformation

(b) Mismatch-like binding

(c) Nonspecific and altered binding