当前位置: X-MOL 学术Vib. Spectrosc. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Raman microspectroscopic and quantum chemical investigations of neuroleptic drugs interactions with dipalmitoylphosphatidylcholine (DPPC) lipid
Vibrational Spectroscopy ( IF 2.5 ) Pub Date : 2021-03-05 , DOI: 10.1016/j.vibspec.2021.103242
Soni Mishra , Abhishek Kumar Mishra

Raman microspectroscopic and quantum chemical studies are performed to get insights into the interaction of neuroleptic drugs with Dipalmitoylphosphatidylcholine (DPPC) lipid and specify their precise location in the lipid bilayer. Liposomes were formed by the thin-film hydration process, and perphenazine drug was added to DPPC at various molar percentages. The intensity ratio of the peak I2935/I2880 is indicative of the interaction of drugs with the alkyl chains and can provide the crucial information about the ratio between disorder and order that occurs in the conformation of the alkyl chain. The effect of chlorpromazine drug on liposomes is discussed. Our results suggest that penetration of drugs in the lipid bilayers results in a concentration dependent rise of the membrane flexibility. Quantum chemical calculations are also performed to plot electrostatic potential surface which provide insights at molecular level infarctions of perphenazine drug and DPPC. The strong interaction was found between both the lipophilic and the polar head groups of the phospholipids with drugs.



中文翻译:

精神安定药与二棕榈酰磷脂酰胆碱(DPPC)脂质相互作用的拉曼光谱和量子化学研究

进行了拉曼光谱和量子化学研究,以深入了解精神抑制药与双棕榈酰磷脂酰胆碱(DPPC)脂质的相互作用,并指定其在脂质双层中的精确位置。通过薄膜水化过程形成脂质体,将奋乃静药物以各种摩尔百分比添加到DPPC中。峰的强度比I 2935 / I 2880表示药物与烷基链的相互作用,可以提供有关在烷基链构象中发生的无序和顺序之间的比率的关键信息。讨论了氯丙嗪药物对脂质体的作用。我们的结果表明,药物在脂质双层中的渗透导致膜柔韧性的浓度依赖性升高。还进行了量子化学计算以绘制静电势表面,从而提供了奋乃静药物和DPPC的分子水平梗塞的见解。在磷脂的亲脂性和极性头部基团之间都发现了与药物的强相互作用。

更新日期:2021-03-22
down
wechat
bug