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Beni-Suef University Journal of Basic and Applied Sciences

Table 1 Designed hydrazone antioxidants, their predicted antioxidant activities and leverage values

From: In silico design of hydrazone antioxidants and analysis of their free radical-scavenging mechanism by thermodynamic studies

Comp no.

Compound structure/name

pIC 50

Leverage

MHD 01

(E)-Nˈ-(3-ethoxy-2,4-dihydroxy-5-nitrobenzylidene)-2,5-dihydroxybenzohydrazide

6.470

0.062

MHD 02

(E)-5-amino-Nˈ-(2-amino-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2-hydroxybenzohydrazide

6.589

0.076

MHD 03

(E)-5-(dichloromethyl)-Nˈ-(2-(dichloromethyl)-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2-hydroxybenzohydrazide

5.979

0.196

MHD 04

(E)-5-(difluoromethyl)-Nˈ-(2-(difluoromethyl)-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2-hydroxybenzohydrazide

5.925

0.194

MHD 05

(E)-5-(2,2-dichloroethyl)-Nˈ-(2-(2,2-dichloroethyl)-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2-hydroxybenzohydrazide

6.424

0.330

MHD 06

(E)-5-(2,2-difluoroethyl)-Nˈ-(2-(2,2-difluoroethyl)-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2-hydroxybenzohydrazide

6.432

0.398

MHD 07

(E)-Nˈ-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2,4,5-trihydroxybenzohydrazide

6.478

0.062

MHD 08

(E)-4,5-diaminoNˈ-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2-hydroxybenzohydrazide

6.575

0.073

MHD 09

(E)-4,5-bis (dichloromethyl)-Nˈ-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2-hydroxybenzohydrazide

5.951

0.179

MHD 10

(E)-4,5-bis (difluoromethyl)-Nˈ-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2-hydroxybenzohydrazide

5.972

0.157

MHD 11

(E)-4,5-bis(2,2-dichloroethyl)-Nˈ-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2-hydroxybenzohydrazide

6.405

0.323

MHD 12

(E)-3-amino-5-(dichloromethyl)-4-(difluoromethyl)-Nˈ-(3-ethoxy-2,4-dihydroxy-5-nitrobenzylidene)-2,6-dihydroxybenzohydrazide

6.543

0.098

MHD 13

(E)-Nˈ-(3-ethoxy-2,4-dihydroxy-5-nitrobenzylidene)-2,3,4,5,6-pentahydroxybenzohydrazide

6.607

0.253

MHD 14

(E)-2,3,4,5-tetraamino-Nˈ-(2-amino-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-6-hydroxybenzohydrazide

6.573

0.216

MHD 15

(E)-2,3,4,5-tetrakis (difluoromethyl)-Nˈ-(2-(difluoromethyl)-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-6-hydroxybenzohydrazide

4.890

0.664

MHD 16

(E)-4-(2,2-dichloroethyl)-Nˈ-(-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2,6-dihydroxybenzohydrazide

6.613

0.105

MHD 17

(E)-3,5-diamino-Nˈ-(2-amino-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2,4,6-trihydroxybenzohydrazide

6.851

0.200

MHD 18

(E)-2-amino-Nˈ-(2-amino-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-3-(dichloromethyl)-5-(difluoromethyl)-4,6-dihydroxybenzohydrazide

6.620

0.102

MHD 19

(E)-Nˈ-(3-ethoxy-2,4-dihydroxy-5-nitrobenzylidene)-2,4,6-trihydroxybenzohydrazide

6.541

0.089

MHD 20

(E)-Nˈ-(3-ethoxy-4-hydroxy-2-mercapto-5-nitrobenzylidene)-2-hydroxy-4,6-dimercaptobenzohydrazide

6.318

0.209

MHD 21

(E)-2,4-diamino-Nˈ-(2-amino-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-6-hydroxybenzohydrazide

6.610

0.076

MHD 22

(E)-Nˈ-(2-amino-3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2,4-dihydroxy-6-mercaptobenzohydrazide

6.783

0.115

MHD 23

(E)-Nˈ-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-3,4ˈ-dihydroxy-[1,1ˈ-biphenyl]-4-carbohydrazide

5.439

0.069

MHD 24

(E)-Nˈ-((6-ethoxy-4ˈ,5-dihydroxy-4-nitro-[1,1ˈ-biphenyl]-2-yl)methylene)-3,4ˈ-dihydroxy-[1,1ˈ-biphenyl]-4-carbohydrazide

4.896

0.377

MHD 25

(E)-Nˈ-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-4,4ˈˈ,5ˈ-trihydroxy-[1,1ˈ3ˈ,1ˈˈ-terphenyl]-4ˈ-carbohydrazide

4.904

0.378

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