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supporting material final.docx (3.37 MB)

New indole derivatives as multi-target anti-Alzheimer's agents; synthesis, biological evaluation and molecular dynamics - supporting material final.docx

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posted on 2023-04-26, 08:41 authored by Eman M Azmy, Ibrahim F Nassar, Mohamed Hagras, Iten M Fawzy, Maghawry Hegazy, Mahmoud Mohamed Mokhtar, Amr Mohamed Yehia, Nasser SM Ismail, Walaa H Lashin

  

S1: 3D interaction diagram of donepezil, & compound 11 with AChE (4EY7).

S2: 2D interaction diagram of compounds; donepezil, 5, 7 & 11 with BChE (6QAE).

S3: 2D interaction diagram between NADPH-Oxidase (2CDU) & donepezil, compounds; 5, 7 & 11.

S4: 3D interaction diagram of donepezil & active Compound 5 with NADPH-Oxidase (2CDU).

S5: H1-NMR of compound 3

S6: C13-NMR of compound 3

S7: Mass spectrum of compound 3

S8: H1-NMR of compound 4

S9: C13-NMR of compound 4

S10: Mass spectrum of compound 4

S11: H1-NMR of compound 5

S12: C13-NMR of compound 5

S13: Mass spectrum of compound 5

S14: H1-NMR of compound 6

S15: C13-NMR of compound 6

S16: Mass spectrum of compound 6

S17: H1-NMR of compound 7

S18: C13-NMR of compound 7

S19: Mass spectrum of compound 7

S20: H1-NMR of compound 8

S21: C13-NMR of compound 8

S22: Mass spectrum of compound 8

S23: H1-NMR of compound 9

S24: C13-NMR of compound 9

S25: Mass spectrum of compound 9

S26: H1-NMR of compound 10

S27: C13-NMR of compound 10

S28: H1-NMR of compound 11

S29: C13-NMR of compound 11

S30: Mass spectrum of compound 11

S31: H1-NMR of compound 12

S32: C13-NMR of compound 12

S33: Mass spectrum of compound 12

S34: H1-NMR of compound 13

S35: C13-NMR of compound 13

S36: Mass spectrum of compound 13

S37: H1-NMR of compound 14

S38: C13-NMR of compound 14

S39: Mass spectrum of compound 14

S40: H1-NMR of compound 15

S41: C13-NMR of compound 15

S42: Results of in vitro Biological Evaluation 

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