Molecular design of curcumin analogues with potent antioxidant properties and thermodynamic evaluation of their mechanism of free radical scavenge

Alisi, Ikechukwu Ogadimma; Uzairu, Adamu; Abechi, Stephen Eyije

doi:10.1186/s42269-020-00391-z

Bulletin of the National Research Centre

Table 1 Designed curcumin derivatives, their predicted antioxidant activities, and leverage values

From: Molecular design of curcumin analogues with potent antioxidant properties and thermodynamic evaluation of their mechanism of free radical scavenge

Comp No.	Compound structure/name	*pIC*₅₀	Leverage
MCC 001	(1E, 4E)-1,5-bis(3-(aminomethyl)-4-hydroxyphenyl)penta-1,4-dien-3-one	5.097	0.602
MCC 002	(1E, 4E)-1,5-bis(4-hydroxy-3-((hydroxyamino)methyl)phenyl)penta-1,4-dien-3-one	4.131	0.556
MCC 003	(1E, 4E)-1,5-bis(4-hydroxy-3-((methylamino)methyl)phenyl)penta-1,4-dien-3-one	2.694	0.610
MCC 004	(1E, 4E)-1,5-bis(4-hydroxy-3-((hydroxyl (methyl)amino)methyl)phenyl)penta-1,4-dien-3-one	5.626	0.568
MCC 005	(1E,4E)-1-(3-(aminomethyl)-4-hydroxyphenyl)-5-(4-hydroxy-3-((hydroxyamino)methyl)phenyl)penta-1,4-dien-3-one	4.697	0.225
MCC 006	(1E,4E)-1-(3-((dimethylamino)methyl)-4-hydroxyphenyl)-5-(4-hydroxy-3-((hydroxyamino)methyl)phenyl)penta-1,4-dien-3-one	5.521	0.271
MCC 007	(1E,4E)-1-(3-(aminomethyl)-4-hydroxyphenyl)-5-(3-((dimethylamino)methyl)-4-hydroxyphenyl)penta-1,4-dien-3-one	6.334	0.386
MCC 008	(1E,4E)-1-(3-(aminomethyl)-4-hydroxyphenyl)-5-(4-hydroxy-3-((methylamino)methyl)phenyl)penta-1,4-dien-3-one	4.054	0.310
MCC 009	(1E,4E)-1-(3-(aminomethyl)-4-hydroxyphenyl)-5-(4-hydroxy-3-((hydroxy (methyl)amino)methyl)phenyl)penta-1,4-dien-3-one	6.475	0.236
MCC 010	(1E,4E)-1-(3-(aminomethyl)-4-hydroxyphenyl)-5-(3-((dihydroxyamino)methyl)-4-hydroxyphenyl)penta-1,4-dien-3-one	4.162	0.252
MCC 011	(1E,4E)-1-(3-(aminomethyl)-4-hydroxyphenyl)-5-(4-hydroxy-3-((methylamino)methyl)phenyl)penta-1,4-dien-3-one	4.343	0.162
MCC 012	(1E,4E)-1-(3-((dimethylamino)methyl)-4-hydroxyphenyl)-5-(4-hydroxy-3-((methylamino)methyl)phenyl)penta-1,4-dien-3-one	4.809	0.296
MCC 013	(1E,4E)-1-(3-(dihydroxyamino)methyl)-4-hydroxyphenyl)-5-(3-((dimethylamino)methyl)-4-hydroxyphenyl)penta-1,4-dien-3-one	4.62	0.253
MCC 014	(1E,4E)-1-(3-((dihydroxyamino)methyl)-4-hydroxyphenyl)-5-(4-hydroxy-3-((hydroxy (methyl)amino)methyl)phenyl)penta-1,4-dien-3-one	3.861	0.403
MCC 015	(1E,4E)-1-(3-((dimethylamino)methyl)-4-hydroxyphenyl)-5-(4-hydroxy-3-((hydroxy (methyl)amino)methyl)phenyl)penta-1,4-dien-3-one	6.282	0.344
MCC 016	(1E,4E)-1-(3-((dihydroxyamino)methyl)-4-hydroxyphenyl)-5-(4-hydroxy-3-((hydroxyamino)methyl)phenyl)penta-1,4-dien-3-one	3.144	0.397
MCC 017	(1E, 4E)-1,5-bis(3-((dihydroxyamino)methyl)-4-hydroxyphenyl)penta-1,4-dien-3-one	2.788	0.625

Back to article page