Research Article
In Silico Molecular Docking Analysis of Natural Pyridoacridines as Anticancer Agents
Table 2
Different glide parameters.
| S. Number | Pyridoacridine analogues (cancer macromolecule) | Glide GScore | Glide energy | Glide Van der Waals energy | Glide coulomb energy |
| 1 | Meridine (CDK-6) | −9.53 | −44.78 | −41.76 | −3.02 | 2 | Neoamphimedine (CDK-6) | −7.66 | −34.96 | −34.82 | −0.14 | 3 | Deoxyamphimedine (CDK-6) | −7.48 | −41.60 | −38.27 | −3.33 | 4 | Amphimedine (CDK-6) | −7.16 | −40.63 | −41.24 | 0.60 | 5 | Meridine (IGF-1R kinase) | −6.78 | −44.09 | −42.52 | −1.57 | 6 | Neoamphimedine (IGF-1R kinase) | −6.48 | −41.33 | −39.44 | −1.89 | 7 | Meridine (CDK-2) | −6.21 | −40.89 | −39.54 | −1.34 | 8 | Amphimedine (CDK-2) | −6.05 | −44.34 | −41.46 | −2.87 | 9 | Amphimedine (IGF-1R kinase) | −6.02 | −29.46 | −27.51 | −1.94 | 10 | Varamine A (CDK-2) | −5.84 | −47.92 | −42.23 | −5.69 | 11 | Deoxyamphimedine (CDK-2) | −5.71 | −37.91 | −36.76 | −1.15 | 12 | Varamine A (Bcl-2) | −5.63 | −35.25 | −31.74 | −3.51 | 13 | Deoxyamphimedine (IGF-1R kinase) | −5.50 | −38.44 | −34.48 | −3.96 | 14 | Neoamphimedine (CDK-2) | −5.31 | −43.00 | −40.81 | −2.18 | 15 | Meridine (Bcl-2) | −4.95 | −28.73 | −28.83 | 0.09 | 16 | Deoxyamphimedine (Bcl-2) | −4.94 | −31.28 | −28.66 | −2.61 | 17 | Varamine A (IGF-1R kinase) | −4.91 | −35.32 | −31.13 | −4.18 | 18 | Neoamphimedine (Bcl-2) | −4.47 | −28.84 | −28.34 | −0.49 | 19 | Amphimedine (Bcl-2) | −4.38 | −28.37 | −29.58 | 1.20 | 20 | Varamine A (CDK-6) | −2.95 | −41.06 | −39.55 | −1.50 | 21 | Amphimedine (VEGFR-2) | −1.80 | −25.09 | −23.61 | −1.48 | 22 | Neoamphimedine (VEGFR-2) | −1.67 | −21.12 | −19.54 | −1.57 | 23 | Meridine (G-Quadruplex) | −1.00 | −29.99 | −25.94 | −4.05 | 24 | Varamine A (G-Quadruplex) | −0.97 | −37.20 | −31.10 | −6.09 | 25 | Deoxyamphimedine (G-Quadruplex) | −0.94 | −35.56 | −30.01 | −5.55 | 26 | Amphimedine (G-Quadruplex) | 0.42 | −34.38 | −34.03 | −0.34 | 27 | Neoamphimedine (G-Quadruplex) | 0.49 | −32.96 | −32.41 | −0.54 |
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