As previously mentioned, when DTTs 4c, 6e, and 6f were evaluated for GSH induction in SH-SY5Y cells, significant toxicity was observed, and the GSH induction data for these molecules was omitted from the study.
In the X40 database for the molecules HX MeOH (X = Cl, Br and I), the DFT methods overestimate the interaction between H and C on MeOH or underestimate the interaction between H and X. Accordingly, the optimized structures of these molecules cannot be obtained without constraints, and thus, these molecules were omitted from our study.
For clarity the 14 bound PIP2 molecules were omitted.
The water molecules were omitted in the docking simulation in order to explore the additional docking pose without excluding the possibility of direct hydrogen bonding.
Information on the detecting antibody clones for these eight molecules is omitted from the transitional and plasma cell panels, as they are the same as those indicated under the memory panel regardless of the fluorochrome conjugates.
(Left) ORTEP view with atom labeling of the mononuclear unit for complex 1 (displacement ellipsoids drawn at 30% probability, H atoms and one lattice water molecule are omitted for clarity,).
Despite a small peak in the Fo-Fc electron density map corresponding to this water molecule for compound 19, subsequent refinement led to a high B-factor and poor 2Fo-Fc density, so this water molecule was omitted from the final model.
The mean plane of the pyrimidine ring of the central molecule is drawn, H atoms are omitted for clarity and H-bonds are indicated by blue lines Fig. 9 Packing diagram of polymorph I.
