5676-60-8, Name is 2-Methylbenzo[d]oxazol-6-amine, belongs to benzoxazole compound, is a common compound. 5676-60-8In an article, authors is Balraju, Vadla, once mentioned the new application about 5676-60-8.
Design, synthesis and biological evaluation of novel Pseudomonas aeruginosa DNA gyrase B inhibitors
In the present study, we attempted to develop a novel class of compounds active against Pseudomonas aeruginosa (Pa) by exploring the pharmaceutically well exploited enzyme targets. Since, lack of Pa gyrase B crystal structures, Thermus thermophilus gyrase B in complex with novobiocin (1KIJ) was used as template to generate model structure by performing homology modeling. Further the best model was validated and used for high-throughput virtual screening, docking and dynamics simulations using the in-house database for identification of Pa DNA gyrase B inhibitors. This study led to an identification of three lead molecules with IC50 values in range of 6.25?15.6 muM against Pa gyrase supercoiling assay. Lead-1 optimization and expansion resulted in 15 compounds. Among the synthesized compounds six compounds were shown good enzyme inhibition than Lead-1 (IC50 6.25 muM). Compound 13 emerged as the most potential compound exhibiting inhibition of Pa gyrase supercoiling with an IC50 of 2.2 muM; and in-vitro Pa activity with MIC of 8 mug/mL in presence of efflux pump inhibitor; hence could be further developed as novel inhibitor for Pa gyrase B.
Do you like my blog? If you like, you can also browse other articles about this kind. 5676-60-8Thanks for taking the time to read the blog about 5676-60-8
Reference£º
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem