Synthesis of novel of 2, 5-disubstituted 1, 3, 4- oxadiazole derivatives and their in vitro anti-inflammatory, anti-oxidant evaluation, and molecular docking study
| Autor: | Vijay M. Khedkar, A. A. Ghanwat, P. H. Salunkhe, Balasaheb B. Dongare, Bharat B. Kashid, Kishor R. More |
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| Rok vydání: | 2020 |
| Předmět: |
Clinical Biochemistry
Pharmaceutical Science Oxadiazole Hydrazide 01 natural sciences Biochemistry Antioxidants Structure-Activity Relationship chemistry.chemical_compound Picrates Drug Discovery Humans Molecule Molecular Biology Oxadiazoles Cyclooxygenase 2 Inhibitors Dose-Response Relationship Drug Molecular Structure biology 010405 organic chemistry Anti-Inflammatory Agents Non-Steroidal Biphenyl Compounds Organic Chemistry Active site Biological activity Combinatorial chemistry 0104 chemical sciences Molecular Docking Simulation Solvent 010404 medicinal & biomolecular chemistry chemistry Cyclooxygenase 2 Reagent Yield (chemistry) biology.protein Molecular Medicine |
| Zdroj: | Bioorganic & Medicinal Chemistry Letters. 30:127136 |
| ISSN: | 0960-894X |
| DOI: | 10.1016/j.bmcl.2020.127136 |
| Popis: | A series of novel 2, 5-disubstituted 1, 3, 4-Oxadiazole derivatives as a potential anti-inflammatory, and anti-oxidant agent were synthesized via cyclisation. Hydrazide molecule treated with substituted acids in the presence of phosphorus oxychloride (POCl3) as an efficient reagent as well as solvent by conventional method with shorter reaction time and excellent yield. The newly synthesized 1, 3, 4- oxadiazole derivatives exhibited excellent to good anti-inflammatory and anti-oxidant activities compaired to the standard drugs. Molecular docking study on the crucial anti-inflammatory target-cyclooxygenase-2 (COX-2) revealed the ability of the scaffold to correctly recognize the active site and achieve significant bonded and non-bonded interactions with key residues therein. This study could identify potential compounds which can be pertinent starting points for structure-based drug design to obtain newer anti-inflammatory agents. |
| Databáze: | OpenAIRE |
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