Table 3 Molecular Docking interaction.

From: In silico exploration of novel EGFR-targeting compounds: integrative molecular modeling, docking, pharmacokinetics, and MD simulations for advancing anti-cervical cancer therapeutics

ID

Name

Distance

Bonding type

Binding score

57

B: ARG460

B: PHE464

B: PHE464

B: VAL482

B: VAL482

B: VAL466

B: VAL516

2.70704

2.89724

5.21136

4.28169

5.14913

5.05715

5.06984

Conventional Hydrogen Bond

Pi-Donor Hydrogen Bond

Pi-Pi T-shaped

Alkyl

Pi-Alkyl

Pi-Alkyl

Pi-Alkyl

-29.2313

110

A: GLU:183

A: THR:179

A: GLY:142

A: ASN:101

A: PRO:173

A: ALA:12

A: TYR:224

A: GLN:11

A: GLN:15

2.24

1.98

2.28

2.34

5.23

3.78

4.25

3.31

2.96

Conventional Hydrogen

Conventional Hydrogen

Conventional Hydrogen

Pi-Sigma

Pi-Alkyl

Pi-Alkyl

Pi-Pi Stacked

-29.1459

111

B: GLN520

B: PHE519

B: PHE464

B: VAL482

2.80576

5.31028

4.79099

5.40731

Conventional Hydrogen Bond

Pi-Pi Stacked

Pi-Pi T-shaped

Pi-Alkyl

-29.9082