Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. Application In Synthesis of 4-Fluoro-2-methoxy-5-nitroaniline, Name is 4-Fluoro-2-methoxy-5-nitroaniline, molecular formula is C7H7FN2O3, molecular weight is 186.1405, category is benzoxazole. Now introduce a scientific discovery about this category.
In the present work, 2-substituted benzoxazole derivatives were synthesized from 2-(benzo[d]oxazol-2-yl) aniline. All the synthesized compounds were purified and characterized by H-1 NMR, C-13 NMR, and mass spectroscopy. All the compounds were pharmacologically evaluated for its in vitro anti-inflammatory efficacy using membrane stabilization and proteinase inhibitory methods. In addition to this, in silico molecular docking studies were carried out to predict the binding affinity of the synthesized benzoxazole derivatives with prostaglandin H2 synthase (PGHS) protein and trypsin enzyme. The results obtained from in vitro anti-inflammatory studies showed that compound 3, 4, and 6a showed good efficacy with percentage inhibition of 74.26 +/- 1.04, 80.16 +/- 0.24, and 70.24 +/- 0.68 for membrane stabilization activity 80.19 +/- 0.05, 85.30 +/- 1.04, and 75.68 +/- 1.28 towards proteinase inhibitory efficacy at a concentration of 100 mu g/mL which was on par to that of standards aceclofenac and etodolac. Molecular docking analysis showed that compounds 3 and 4 possess good binding affinity towards PGHS protein with a docking score of – 9.4 and – 9.3 kcal/mol respectively.
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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem