Chemical research careers are more diverse than they might first appear, as there are many different reasons to conduct research and many possible environments. , Category: naphthyridines, 1588-83-6, Name is 4-Amino-3-nitrobenzoic acid, molecular formula is C7H6N2O4, belongs to naphthyridine compound. In a document, author is Kaur, Maninder, introduce the new discover.
In the present study, 3D-QSAR analysis was performed utilizing docking based alignment of [1,6]-naphthyridine derivatives as Syk enzyme inhibitors. The role of the water molecules was explored for the docking based alignment that revealed two conserved water molecules important for proper orientation and alignment of naphthyridine inhibitors in the active site of Syk enzyme. The QSAR model was selected having highest value of Q(2) (0.624) and Pearson-r (0.862). The selected model also displayed the highest values of R-2 (0.978) and F-value (184.5) and the lowest SD (0.862). The contour plots developed on the basis of the best model helped to reveal the essential structural features of naphthyridines derivatives responsible for inhibition of Syk enzyme. The generated model and information revealed from it was utilized to design and predict new congeneric molecules that can be used as potential therapeutic agents.
In the meantime we’ve collected together some recent articles in this area about 1588-83-6 to whet your appetite. Happy reading! Category: naphthyridines.
Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem