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Microwave assisted template synthesis of metal based EGFR, TRK inhibitors, molecular docking and in vitro biological studies
Indian Journal of Chemistry, Section A ( IF 0.412 ) Pub Date : 2020-07-07
Preeti Jain, Vandna Singh, Vishwas Tripathi

Metal based biologically active compounds have been synthesized by microwave assisted template condensation method and characterized by spectro-analytical techniques like molar conductance, UV-visible, infrared and mass spectroscopy and thermogravimetric analysis. The metal is arranged in octahedral geometry surrounded by tetradentate ligand framework. The binding affinity of all the metal complexes has been evaluated theoretically by molecular docking studies against epidermal growth factor receptor (EGFR) and tyrosine kinase (TRK) receptor molecules which are further verified by in vitro anticancer activity. Complex [Cr(C16H11N4O2)(NO3)2]NO3 have showed potent in vitro cytotoxicity (IC50 value 39.5μM) against SCC4 cancer cell line. Antioxidant study has also performed by DPPH assay and significant results are found.[Fe(C16H11N4O2)(OAc)2]OAc and [Cr(C16H11N4O2) (OAc)2]OAc are most effective antioxidants with 78.7% and 76.8% free radical scavenging activity, respectively.

中文翻译:

微波辅助模板合成基于金属的EGFR,TRK抑制剂,分子对接和体外生物学研究

金属基生物活性化合物已通过微波辅助模板缩合方法合成,并通过光谱分析技术进行表征,例如摩尔电导,紫外可见光,红外和质谱以及热重分析。金属以八面体几何形状排列,被四齿配体框架包围。理论上已经通过分子对接研究对表皮生长因子受体(EGFR)和酪氨酸激酶(TRK)受体分子进行了分子对接研究,评估了所有金属配合物的结合亲和力,并进一步通过体外抗癌活性进行了验证。络合物[Cr(C 16 H 11 N 4 O 2)(NO 32 ] NO 3已显示出对SCC4癌细胞有效的体外细胞毒性(IC 50值为39.5μM)。还通过DPPH分析进行了抗氧化剂研究,并发现了重要的结果。[Fe(C 16 H 11 N 4 O 2)(OAc)2 ] OAc和[Cr(C 16 H 11 N 4 O 2)(OAc)2 ] OAc是最有效的抗氧化剂,分别具有78.7%和76.8%的自由基清除活性。
更新日期:2020-07-28
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