Elucidating Antiangiogenic Potential of Rauwolfia serpentina: VEGFR-2 Targeting-Based Molecular Docking Study

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