Research Article
Interspecies Anticancer and Antimicrobial Activities of Genus Solanum and Estimation of Rutin by Validated UPLC-PDA Method
Table 4
Molecular interactions between rutin and DNA.
| | Ligand atoms | DNA atom | Type of interactions | Bond distance (Å) | Docking Score |
| | Rutin |
| | H12 | B:DA17:OP2 | Hydrogen Bond | 2.30 | -233.85 | | H19 | A:DT7:O4 | Carbon Hydrogen Bond | 2.36 | | H20 | A:DT7:O4 | Carbon Hydrogen Bond | 2.35 | | UNK1 | B:DG16:OP1 | Electrostatic (π-Anion) | 2.66 | | UNK1 | B:DG16:OP2 | π-Lone Pair | 2.85 | | C42 | A:DA5 | Hydrophobic (π-Alkyl) | 3.68 | | C42 | A:DA5 | Hydrophobic (π-Alkyl) | 5.31 | | C42 | A:DA6 | Hydrophobic (π-Alkyl) | 4.15 |
| | 5-Fluorouracil |
| | F1 | A:DA5:H2 | Carbon Hydrogen Bond | 2.33 | -144.63 | | O2 | A:DA5:H2 | Carbon Hydrogen Bond | 2.49 | | F1 | A:DA5:N3 | Halogen bond | 3.42 | | F1 | A:DA6:N9 | Halogen bond | 3.40 | | F1 | A:DA6:N3 | Halogen bond | 2.19 | | F1 | B:DT20:O2 | Halogen bond | 2.80 |
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