Fig. 5 | Scientific Reports

Fig. 5

From: Cellular internalization, cytotoxicity and DNA binding property of 2,3-diaminophenazine, synthesized using Jeanbandyite, a heterogeneous catalyst

Fig. 5

(a) Ground State optimized structure of DAP (b) The Orientations of various DAP-DNA complexes (i) DAP-DNA-A, (ii) DAP-DNA-N, (iii) DAP-DNA-H (c) Relative energies of the PDA-DNA complexes in various orientations. As observed in the figure, the stability order is (i) DAP-DNA-A > (ii) DAP-DNA-N > (iii) DAP-DNA-H.; (d) 3D and (e) 2D H-bonded interaction of the DAP with DNA.

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