886366-28-5Relevant articles and documents
Introducing a potential lead structure for the synthesis of more specific inhibitors of tyrosinases and catechol oxidases
Amirzakaria, Javad Zamani,Eshghi, Hossein,Ghorbanian, Nargess,Haghbeen, Faheimeh,Haghbeen, Kamahldin,Hajatpour, Golnaz
, (2021/09/22)
Based on tyrosinase inhibition science, two pyrimidine derivatives were designed and studied. Docking of 2-dibenzylamine-5-hydroxy pyrimidine (dba5HP) and 2-benzylamino-5-hydroxy pyrimidine (ba5HP) on mushroom tyrosinase (MT) showed that the former could not occupy MT active site pocket, while ba5HP could do so (Moldock score = ? 63.95). MD simulation revealed that the complex of ba5HP-MT reached stability 50 = 32.28, Ki = 11.32?μM). Considering the facile synthesis, potential for structural modifications, and passing most of the lead-likeness filters, it seems likely that ba5HP plays key roles in the syntheses of novel depigmentation medicines as well as more specific inhibitors for various tyrosinases and polyphenol oxidases.