Table 7.

Molecular modeling results due to docking of compounds (6a–c, 10a–c) and Sunitinib in the PDB ID: 4AGD and 3G0E responsible for VEGFR-2 and c-kit inhibitors, respectively.

Entry	Compd.	PDB ID: 4AGD		PDB ID: 3G0E
		Docking scorea	Docking observations	Docking scorea	Docking observations
1	6a	−31.48	H-bond: indolyl CO - CYS919; π-σ interactions: indole - VAL848	−50.99	H-bond: indolyl CO - CYS673, indolyl NH - GLU671, sulfonyl SO-ASP677; π-σ interactions: indole–VAL603
2	6b	−40.07	H-bond: indolyl CO - CYS919, indolyl NH - GLU917	−50.69	H-bond: indolyl CO - CYS673, indolyl NH - GLU671; π-σ interactions: indole–VAL603
3	6c	−35.67	H-bond: indolyl CO - CYS919	−56.56	H-bond: indolyl CO - CYS673, indolyl NH - GLU671; π-σ interactions: indole–VAL603, phenyl-LEU595
4	10a	−34.67	H-bond: indolyl CO - CYS919, indolyl NH - GLU917	−57.88	H-bond: indolyl CO - CYS673, indolyl NH - GLU671, sulfonamide SO-ASP677; π-σ interactions: indole–VAL603
5	10b	−39.46	H-bond: indolyl CO - CYS919, indolyl NH - GLU917	−55.81	H-bond: indolyl CO - CYS673
6	10c	–33.29	H-bond: indolyl CO - CYS919, indolyl NH - GLU917	−58.33	H-bond: indolyl CO - CYS673, indolyl NH - GLU671, sulfonamide SO-ASP677
7	Sunitinib	−53.64	H-bond: indolyl CO - CYS919, indolyl NH - GLU917	−59.88	H-bond: indolyl CO - CYS673, indolyl NH - GLU671; π-σ interactions: indole–VAL603

^a Docking score in kcal mol⁻¹.