Studying the interaction of scopolamine with calf-thymus DNA: An in-vitro and in-silico approach and genotoxicity

被引：12
|
作者：
Ameen, Faisal [1 ]
Siddiqui, Sharmin [1 ]
Jahan, Ishrat [2 ]
Nayeem, Shahid M. [2 ]
Rehman, Sayeed Ur [3 ]
Tabish, Mohammad [1 ]
机构：
[1] Amity Univ, Fac Life Sci, Dept Biochem, Aligarh 202002, Uttar Pradesh, India
[2] Amity Univ, Fac Sci, Dept Chem, Aligarh 202002, Uttar Pradesh, India
[3] Jamia Hamdard, Dept Biochem, Sch Chem & Life Sci, New Delhi 110062, India
来源：
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2022年 / 265卷
关键词：
Scopolamine; ct-DNA; Spectroscopy; Molecular dynamics simulation; And genotoxicity; MOLECULAR DOCKING; GENE-EXPRESSION; BINDING INTERACTION; ANTICANCER DRUG; FLUORESCENCE; COMPLEXES; GROMACS; UV;
D O I：
10.1016/j.saa.2021.120391
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
Scopolamine is used to treat various CNS disorder like urinary incontinence, motion sickness, spasmic movements. Despite its pharmaceutical properties, its interaction with DNA is not yet reported. In this article, the interaction between scopolamine and ct-DNA is reported using a combination of biophysical techniques. UV-visible and steady-state fluorescence spectroscopy were used to study interaction and complex formation. Competitive displacement assays and potassium iodide quenching confirmed the mode of binding between scopolamine and DNA. Structural changes induced in the ct-DNA in the presence of scopolamine were evaluated by CD spectroscopy. The plasmid nicking and NBT assay confirmed the genotoxic effect of scopolamine. In-silico study by molecular docking and molecular dynamics simulation revealed the mode of interaction, major stabilizing forces as well as the nucleotide sequences to which the scopolamine binds. (C) 2021 Elsevier B.V. All rights reserved.
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页数：13
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