Experimental and Theoretical Investigations of Vibrational Spectrum and Biological Activity of Dichlorvos

被引：0
|
作者：
Sudhi, Geethu [1 ]
Praveen, S. G. [2 ]
Xavier, T. S. [1 ]
Kenny, Peter T. M. [3 ]
Binoy, J. [1 ]
机构：
[1] Univ Kerala, Dept Phys, Govt Coll Women, Thiruvananthapuram 695014, Kerala, India
[2] Indian Inst Sci Educ & Res, Sch Phys, Thiruvananthapuram 695016, Kerala, India
[3] Dublin City Univ, Sch Chem Sci, Dublin 9, Ireland
来源：
3RD INTERNATIONAL CONFERENCE ON CONDENSED MATTER & APPLIED PHYSICS (ICC-2019) | 2020年 / 2220卷
关键词：
FREQUENCIES; DNA;
D O I：
10.1063/5.0002228
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The resonance in phosphate group plays a key role in inducing biological activity to many organophosphate compounds. Hence, the resonance in phosphate of dichlorvos (2,2 dichloro vinyl dimethyl phosphate or DDVP) has been explored in detail in addition to the vibrational features in dichloro vinyl group which are explained based on vibrational spectroscopy aided by DFT simulations. To investigate the interaction of dichlorvos with DNA and AChE, UV-Visible and fluorescence spectral titrations have been carried out for Dichlorvos-DNA and Dichlorvos-AChE complexes. These experimental results of interactions ere further investigated with the aid of docking simulation studies. The docking along with structural analysis reveal that nonbridging oxygen is responsible for binding.
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页数：6
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