. 2022 Mar 2;12:3424. doi: 10.1038/s41598-022-07456-1

Table 3.

The residues involved in the interaction of the potent derivatives (4, 6, and 8) with the five selected proteins.

	MMP-9 (4XCT)	p53 (3ZME)	β-catenin (1JDH)	Bcl-2 (2W3L)	VEGF (2XAC)
The ligand	Ala189^a	Asp228^a		Tyr67^a
	His236^a	Thr 230^b
	Leu188^b	Cys229^b
Compound 4	Ala189^a	Cys220^a	Asn430^a	Glu95^a	Gln27^a
	Leu187^b	Thr230^a	Lys435^a	Asp99^a
	His226^b	Thr230^a	Ser473^b	Asp99^a
Compound 6	Ala189^a	Pro151^a	Lys435^a	Glu95^a	Gln27^a
	Leu187^b	Cys220^a	Ser473^a	Asp99^a	Gln55^a
	His226^b	Asp228^a	Arg474^a		Pro28^b
	His226^b	Asp228^a	Arg469^b		Pro28^b
Compound 8	Tyr245^a	Glu221^a	Asn430^a	Arg105^a	Arg23^a&b
	Arg249^a		Lys435^a
	His236^b		Arg474^a
			His470^b
			Arg515^b

^ahydrogen bond and ^barene-H interaction.