ars.els-cdn.com · web viewqamar abbas b, mubashir hassan b, hussain raza b, sung-yum seo b a...
TRANSCRIPT
Synthesis, Molecular docking studies of Coumarinyl-pyrazolinyl substituted thiazoles as
non-competitive inhibitors of mushroom tyrosinase
Aamer Saeed*a, Parvez Ali Mahesara, Pervaiz Ali Channara, Fayaz Ali Larika, Qamar Abbasb, Mubashir Hassanb, Hussain Razab, Sung-Yum Seob a Department of Chemistry, Quaid-I-Azam University, Islamabad 45320, Pakistan.
bDepartment of Biological Sciences, College of Natural Sciences, Kongju National University,
56 Gongjudehak-Ro, Gongju, Chungnam 314-701, Republic of Korea
Email: [email protected], Tel +92-51-9064-2128; Fax: +92-51-9064-2241
Supplementary Information
1
Figure. S1 The Mushroom tyrosinase Ramachandran graph is presented the residual position in
the favor region (pink boundary) by evaluating the Psi (φ) and Phi (ψ) angles. Most of residues
(green circle) lie in favor region while only ten poor rotamers are present in the outer region.
2
Figure. S2. Binding pocket of mushroom tyrosinase
3
Figure. S3. Docking complex of 7a
4
Figure. S4. Docking complex of 7b
5
Figure. S5. Docking complex of 7c
6
Figure. S6. Docking complex of 7d
7
Figure. S6. Docking complex of 7e
8
Figure. S7. Docking complex of 7f
9
Figure. S8. Docking complex of 7g
10
Figure. S9. Docking complex of 7h
11
Figure. S10. Docking complex of 7i
12
Figure. S11. Docking complex of 7k
13
Figure. S12. Docking complex of 7l
14
Figure. S13. Docking complex of 7m
15
Figure. S14. Docking complex of 7n
16
Figure. S15. Docking complex of 7o
17
Figure. S16. Docking complex of 7p
18
Figure. S17. Docking complex of 7q
19
Figure S18. 1H-NMR spectrum of 7e
20
Figure S19. 13C-NMR spectrum 7a
21
Figure S20. 1H-NMR spectrum of 7a
22
Figure S21. 1H-NMR spectrum of 7n
23