475467-17-5Relevant articles and documents
Development of new pyrazole hybrids as antitubercular agents: Synthesis, biological evaluation and molecular docking study
Shaikh, Sameer I.,Zaheer, Zahid,Mokale, Santosh N.,Lokwani, Deepak K.
, p. 50 - 56 (2017/11/30)
Objective: Synthesis of new 1, 3-diphenyl pyrazole derivatives 9(a-f) and 10(a-f) using molecular hybridization approach and evaluation of their antitubercular and cytotoxic studies. Methods: The structures of synthesized compounds were confirmed by 1H NMR, 13C NMR and mass spectra. The antitubercular activity of compounds and standard drugs were assessed against Mycobacterium tuberculosis using Microplate alamar blue assay (MABA). The cytotoxic activities were performed by Sulforhodamine B (SRB) assay. The molecular docking and in silico ADME prediction studies were also performed by using Schrodinger. Results: The results reveal that compounds 9c, 9d, 10c and 10d exhibited substantial antitubercular potential with MIC10. The molecular docking study was performed to study the binding orientation and affinity of synthesized compounds for InhA enzyme. Conclusion: The study explored that 1, 3-diphenyl pyrazole hybrid coupled with well-known antitubercular drugs could be a potential lead for antitubercular agents. In silico molecular docking, study helps to identify their corresponding intermolecular ligand-protein interactions with target enzyme. Also, ADME prediction studies revealed that the compounds were in acceptable range to have good pharmacokinetic parameters.
Synthesis of some pyrazolylaldehyde N-isonicotinoyl hydrazones and 2,5-disubstituted 1,3,4-oxadiazoles as DNA photocleaving agents
Kumar,Kumar,Beniwal
, p. 2862 - 2870 (2015/03/04)
In search of potential biologically active compounds, some novel 2,5-disubstituted 1,3,4-oxadiazole derivatives have been prepared conveniently via oxidation of newly synthesized pyrazolylaldehyde N-isonicotinoyl hydrazones by (diacetoxyiodo)benzene in di
Design and synthesis of novel 2-phenyl-5-(1,3-diphenyl-1H-pyrazol-4-yl)-1, 3,4-oxadiazoles as selective COX-2 inhibitors with potent anti-inflammatory activity
Bansal, Sumit,Bala, Manju,Suthar, Sharad Kumar,Choudhary, Shivani,Bhattacharya, Shoumyo,Bhardwaj, Varun,Singla, Sumit,Joseph, Alex
, p. 167 - 174 (2014/05/20)
A novel series of 2-phenyl-5-(1,3-diphenyl-1H-pyrazol-4-yl)-1,3,4- oxadiazoles were designed and synthesized for selective COX-2 inhibition with potent anti-inflammatory activity. Among the compounds tested, 9g (2-(3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole) was found to be the most potent inhibitor of COX-2 with IC of 0.31 μM showing promising degree of anti-inflammatory activity in the carrageenan-induced rat paw edema model with ED of 74.3 mg/kg. The lead compound 9g further showed suppression of acetic acid-induced writhes comparable to that of aspirin and gastro-sparing profile superior to the aspirin. Molecular docking analysis displayed higher binding affinity of ligands towards COX-2 than COX-1.
Synthesis and biological evaluation of the pyrazole class of cyclooxygenase-2-inhibitors
Rida, Samia M.,Saudi, Manal N.S.,Youssef, Amal M.,Halim, Madiha A.
experimental part, p. 282 - 288 (2010/04/23)
Several 1,3,4-trisubstituted pyrazole derivatives were synthesized via condensation with the appropriate amine, sulphonamide, acid hydrazide, or benzyl thiosemicarbazide derivatives. The newly synthesized compounds were screened for a possible anti-inflammatory effect in a rat model of air-pouch carrageenan-induced inflammation. The results revealed that some of the newly synthesized compounds exhibited a significant anti-inflammatory effect in terms of reducing exudation and/or leukocytic accumulation at the site of inflammation. Thus, compared to carrageenan-induced inflammation group, compounds 3, 9, 13, and 17 were particularly associated with significant decrease in both the volume of exudate and leukocyte accumulation while compounds 4, 7, 10, 11 and 15 were associated with significant decrease in the volume of inflammatory exudate without a corresponding decrease in the number of accumulated leukocytes. Moreover, a docked pose of compound 17 was obtained and bound to cyclooxygenase active site of COX-2 using Molecular Operating Environment (MOE) module.
