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Effects on Anti-Inflammatory, DNA Binding and Molecular Docking Properties of 2-chloroquinolin-3-yl-methylene-pyridine / pyrazole Derivatives and their Palladium(II) Complexes
Bioorganic & Medicinal Chemistry Letters ( IF 2.5 ) Pub Date : 2020-09-30 , DOI: 10.1016/j.bmcl.2020.127593
S Bhuvaneswari 1 , M Umadevi 2 , R Vanajothi 3
Affiliation  

Two new sets of Schiff bases 2-chloroquinolin-3-yl-methylene-pyridin-2-amine (CMPA) and 2-chloroquinolin-3-yl-methylene-pyrazole-5-amine-3-thole (CMPT) and their respective palladium (II) complexes have been synthesised and characterized with the aid of elemental analysis, IR, 1H & 13C NMR, UV–Vis., and electrochemical studies. The surface morphology of palladium complexes were examined by Scanning Electron Microscopic image. The binding affinities of complexes with CT-DNA were carried out by absorption spectra and cyclic voltammetric studies. The observed hypochromic (∼20%) and bathochromic (∼30%) shifts indicates that the complexes bind with Guanine base pair of CT-DNA via intercalation. The increasing cathodic peak potential from +0.968 eV to +1.104 eV in complexes confirm the presence of intercalation. Anti-inflammatory activities of both ligands and complexes have been studied using carrageenan induced hind paw edema in Wistar rats. The change in paw volume revealed that the maximum percentage of inhibition was observed in metal complex at 5th hour with a dose of 200 mg/kg. In order to evaluate the binding affinity of ligand and metal complex, molecular interaction analysis were performed by maestro implemented in Schrodinger.



中文翻译:

对2-氯喹啉-3-基-亚甲基吡啶/吡唑衍生物及其钯(II)配合物的抗炎,DNA结合和分子对接性质的影响

两套新的席夫碱2-氯喹啉-3-基-亚甲基-吡啶-2-胺(CMPA)和2-氯喹啉-3-基-亚甲基-吡唑-5-胺-3-胺(CMPT)及其各自钯(II)配合物已经合成,并借助元素分析,IR,1 H和13进行了表征C NMR,UV-Vis。和电化学研究。通过扫描电子显微镜图像检查钯配合物的表面形态。通过吸收光谱和循环伏安法研究复合物与CT-DNA的结合亲和力。观察到的低色度(〜20%)和红度色(〜30%)变化表明复合物通过嵌入与CT-DNA的鸟嘌呤碱基对结合。络合物中阴极峰电位从+0.968 eV增加到+1.104 eV,证实存在插层。已经使用角叉菜胶诱导的Wistar大鼠后足水肿研究了配体和复合物的抗炎活性。爪体积的变化表明,在剂量为200 mg / kg的第5小时,在金属配合物中观察到最大的抑制百分比。

更新日期:2020-09-30
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