5683-43-2Relevant articles and documents
Design, synthesis and biological evaluation of novel Pseudomonas aeruginosa DNA gyrase B inhibitors
Balraju, Vadla,Jogula, Sridhar,Krishna, Vagolu Siva,Meda, Nikhila,Sriram, Dharmarajan
, (2020/05/08)
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 μM 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 μM). Compound 13 emerged as the most potential compound exhibiting inhibition of Pa gyrase supercoiling with an IC50 of 2.2 μM; and in-vitro Pa activity with MIC of 8 μg/mL in presence of efflux pump inhibitor; hence could be further developed as novel inhibitor for Pa gyrase B.
Amberlyst-15-catalyzed synthesis of 2-substituted 1,3-benzazoles in water under ultrasound
Rambabu,Murthi, P. Radha Krishna,Dulla, Balakrishna,Basaveswara Rao,Pal, Manojit
supporting information, p. 3083 - 3092 (2013/09/12)
A clean and general method has been developed for the synthesis of benzothiazole, benzoxazole, and benzimidazoles using Amberlyst-15 as a recyclable catalyst under ultrasound irradiation in water. The methodology is operationally simple, free from the use of hazardous organic solvents, and does not require the use of inert or anhydrous atmosphere. A number of 1,3-benzazole derivatives were prepared in good to excellent yields by using this methodology.
Mono-nitration of aromatic compounds via their nitric acid salts
Zhang, Pingsheng,Cedilote, Miall,Cleary, Thomas P.,Pierce, Michael E.
, p. 8659 - 8664 (2008/03/30)
Aromatic compounds bearing a basic nitrogen atom can be converted to the corresponding nitric acid salts. Mono-nitration of the compounds can be carried out by adding a dichloromethane solution of the salts to sulfuric acid, or by adding acetyl chloride (or trifluoroacetic anhydride) to a dichloromethane solution of the salts. This protocol provides, among other benefits, the most convenient and reliable way for the prevention of over-/under-nitration and is especially suitable for scale-up.
