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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: aamersaeed@yahoo.com, Tel +92-51-9064-2128; Fax: +92-51-9064-2241
Supplementary Information
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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.
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Figure. S2. Binding pocket of mushroom tyrosinase
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Figure. S3. Docking complex of 7a
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Figure. S4. Docking complex of 7b
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Figure. S5. Docking complex of 7c
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Figure. S6. Docking complex of 7d
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Figure. S6. Docking complex of 7e
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Figure. S7. Docking complex of 7f
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Figure. S8. Docking complex of 7g
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Figure. S9. Docking complex of 7h
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Figure. S10. Docking complex of 7i
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Figure. S11. Docking complex of 7k
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Figure. S12. Docking complex of 7l
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Figure. S13. Docking complex of 7m
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Figure. S14. Docking complex of 7n
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Figure. S15. Docking complex of 7o
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Figure. S16. Docking complex of 7p
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Figure. S17. Docking complex of 7q
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Figure S18. 1H-NMR spectrum of 7e
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Figure S19. 13C-NMR spectrum 7a
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Figure S20. 1H-NMR spectrum of 7a
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Figure S21. 1H-NMR spectrum of 7n
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