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Synthesis, antiamoebic activity and docking studies of metronidazole-triazole-styryl hybrids.
- Source :
-
European journal of medicinal chemistry [Eur J Med Chem] 2018 Apr 25; Vol. 150, pp. 633-641. Date of Electronic Publication: 2018 Mar 13. - Publication Year :
- 2018
-
Abstract
- A series of 22 novel metronidazole-triazole-styryl hybrids were synthesized and evaluated for their in vitro antiamoebic activity against HM1: IMSS strain of Entamoeba histolytica. Some of the hybrids were found to be more active (IC <subscript>50</subscript> = 0.12-0.35 μM) than the reference drug metronidazole (IC <subscript>50</subscript> = 1.79 μM). The most active compounds were found to be non-toxic (up to 50 μM) against the Vero cells showing a good safety profile of these hybrids. The docking and ADMET studies were also conducted to investigate the probable mode of action. Docking studies showed significant binding affinity in the active site of E. histolytica thioredoxin reductase (EhTrR) protein.<br /> (Copyright © 2018 Elsevier Masson SAS. All rights reserved.)
- Subjects :
- Antiprotozoal Agents chemical synthesis
Antiprotozoal Agents chemistry
Dose-Response Relationship, Drug
Entamoeba histolytica enzymology
Enzyme Inhibitors chemical synthesis
Enzyme Inhibitors chemistry
Metronidazole chemistry
Molecular Docking Simulation
Molecular Structure
Parasitic Sensitivity Tests
Structure-Activity Relationship
Styrene chemistry
Thioredoxin-Disulfide Reductase antagonists & inhibitors
Thioredoxin-Disulfide Reductase metabolism
Triazoles chemistry
Antiprotozoal Agents pharmacology
Entamoeba histolytica drug effects
Enzyme Inhibitors pharmacology
Metronidazole pharmacology
Styrene pharmacology
Triazoles pharmacology
Subjects
Details
- Language :
- English
- ISSN :
- 1768-3254
- Volume :
- 150
- Database :
- MEDLINE
- Journal :
- European journal of medicinal chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 29558734
- Full Text :
- https://doi.org/10.1016/j.ejmech.2018.03.033