Chemistry Research Laboratory, School of Chemical Sciences, Solapur University, Solapur 413255, India.
Chemistry Research Laboratory, School of Chemical Sciences, Solapur University, Solapur 413255, India; CSIR- National Chemical Laboratory, Dr. Homi Bhabha Road, Pune 411008, India.
Bioorg Med Chem Lett. 2020 Jun 15;30(12):127136. doi: 10.1016/j.bmcl.2020.127136. Epub 2020 Mar 25.
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 (POCl) 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.
一系列新型 2,5-二取代 1,3,4-噁二唑衍生物被合成出来作为一种潜在的抗炎和抗氧化剂，通过环化反应得到。酰肼分子在三氯氧磷（POCl）的存在下与取代酸反应，该方法反应时间短、产率高，是一种有效的试剂和溶剂。新合成的 1,3,4-噁二唑衍生物在抗炎和抗氧化活性方面表现出了优异到良好的效果，与标准药物相比具有更好的效果。对关键抗炎靶点环氧化酶-2（COX-2）的分子对接研究表明，该支架能够正确识别活性位点，并与其中的关键残基发生显著的键合和非键合相互作用。这项研究可以确定潜在的化合物，这些化合物可能是基于结构的药物设计的重要起点，以获得更新的抗炎药物。
