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Synthesis, pharmacological activities and molecular docking studies of pyrazolyltriazoles as anti-bacterial and anti-inflammatory agents.
- Source :
-
Bioorganic & medicinal chemistry [Bioorg Med Chem] 2017 Oct 15; Vol. 25 (20), pp. 5678-5691. Date of Electronic Publication: 2017 Sep 15. - Publication Year :
- 2017
-
Abstract
- A series of novel pyrazolyl alcohols (5a-h), pyrazolyl azides (6a-h), and pyrazolyltriazoles (8a-h, 10a-p and 12a-l) were prepared and evaluated for their bioactivity (anti-bacterial and anti-inflammatory) profile. The compound 5c displayed the potent anti-bacterial activity against Micrococcus luteus (MIC 3.9 and MBC 7.81µg/mL). In vitro anti-inflammatory activity data denoted that compound 8b is effective among the tested compounds against IL-6 (IC <subscript>50</subscript> 6.23μM). Docking analysis of compounds 5f, 8a-b, 8e-f and 8h displayed high binding energies for the compounds 8a-b and 8h towards TNF-α dimer (2AZ5 protein) and IL-6 (1ALU protein). In vivo anti-inflammatory activity of compounds 8b and 8h with respect to LPS induced mice model indicated that compound 8h showed significant reduction in TNF-α.<br /> (Copyright © 2017 Elsevier Ltd. All rights reserved.)
- Subjects :
- Animals
Anti-Bacterial Agents chemical synthesis
Anti-Bacterial Agents chemistry
Anti-Bacterial Agents pharmacology
Anti-Inflammatory Agents chemical synthesis
Anti-Inflammatory Agents chemistry
Anti-Inflammatory Agents pharmacology
Gene Expression Regulation drug effects
Interleukin-6 genetics
Interleukin-6 metabolism
Mice
Microbial Sensitivity Tests
Micrococcus luteus drug effects
Pyrazoles chemical synthesis
Pyrazoles chemistry
Pyrazoles pharmacology
Triazoles chemistry
Tumor Necrosis Factor-alpha genetics
Tumor Necrosis Factor-alpha metabolism
Molecular Docking Simulation
Triazoles chemical synthesis
Triazoles pharmacology
Subjects
Details
- Language :
- English
- ISSN :
- 1464-3391
- Volume :
- 25
- Issue :
- 20
- Database :
- MEDLINE
- Journal :
- Bioorganic & medicinal chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 28927905
- Full Text :
- https://doi.org/10.1016/j.bmc.2017.08.042