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. 2022 Feb 14;2022:6224666. doi: 10.1155/2022/6224666

Table 2.

The interaction parameters of selected bioactive compounds of R. serpentina docked against VEGFR-2.

Sl. no. Ligand name Binding energy, ΔG (Kcal/mol) Inhibition constant (Ki) (nM) Interactive residues
1 Ajmalicidine −10.08 41.06 Ala864, Lys866, Val912, Leu838, Val846, Val865, Glu883, Val897, Ile913, Val914, Glu915, Leu1033, Cys1043, Asp1044, and Phe1045
2 1, 2-Dihydrovomilenine −10.6 17.06 Lys866, Glu883, Leu838, Val846, Ala864, Leu887, Val897, Val914, Glu915, Phe916, Cys917, Leu1033, Cys1043, Asp1044, and Phe1045
3 Rauwolscine −10.4 23.79 Lys866, Glu883, Leu838, Ala864, Val897, Val912, Val914, Glu915, Phe916, Cys917, Leu1033, Asp1044 and Phe1045
4 Yohimbine −9.7 78.00 Leu838, Arg1049, Ala864, Val897, Val914, Glu915, Phe916, Asn921, Leu1033, Cys1043, Asp1044, and Phe1045
5 Ajmaline −9.44 121.28 Glu915, Leu838, Val846, Ala864, Lys866, Glu883, Val914, Cys917, Leu1033, Cys1043, and Asp1044
6 Papaverine −9.06 230.32 Asp1044, Leu838, Gly839, Val846, Ala864, Lys866, Glu883, Val897, Glu915, Phe916, Cys917, Gly920, Leu1033, Cys1043, and Phe1045