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

被引：14

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.

引用

页数：13

共 50 条

[1] Molecular spectroscopic and thermodynamic studies on the interaction of anti-platelet drug ticlopidine with calf thymus DNA [J].

Afrin, Shumaila ;

Rahman, Yusra ;

Sarwar, Tarique ;

Husain, Mohammed Amir ;

Ali, Abad ;

Shamsuzzaman ;

Tabish, Mohammad .

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 186 :66-75

[2] Proposed model for in vitro interaction between fenitrothion and DNA, by using competitive fluorescence, 31P NMR, 1H NMR, FT-IR, CD and molecular modeling [J].

Ahmadi, Farhad ;

Jafari, Batool ;

Rahimi-Nasrabadi, Mehdi ;

Ghasemi, Sahar ;

Ghanbari, Kumars .

TOXICOLOGY IN VITRO, 2013, 27 (02) :641-650

[3] Interaction of memantine with calf thymus DNA: anin-vitroandin-silicoapproach and cytotoxic effect on the cancerous cell lines [J].

Ameen, Faisal ;

Siddiqui, Sharmin ;

Kausar, Tasneem ;

Nayeem, Shahid M. ;

Sarwar, Tarique ;

Rizvi, Mohammad Moshahid Alam ;

Rehman, Sayeed ur ;

Tabish, Mohammad .

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (03) :1216-1229

[4] A detailed insight into the interaction of memantine with bovine serum albumin: A spectroscopic and computational approach [J].

Ameen, Faisal ;

Siddiqui, Sharmin ;

Jahan, Ishrat ;

Nayeem, Shahid M. ;

Rehman, Sayeed Ur ;

Tabish, Mohammad .

JOURNAL OF MOLECULAR LIQUIDS, 2020, 303

[5] Studies on the interaction of isoxazolcurcumin with calf thymus DNA [J].

Bera, Rabindranath ;

Sahoo, Bijaya K. ;

Ghosh, Kalyan S. ;

Dasgupta, Swagata .

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2008, 42 (01) :14-21

[6]

Biovia D., 2017, Discovery Studio Visualizer

[7] Hippocampal gene expression profiling reveals the possible involvement of Homer1 and GABAB receptors in scopolamine-induced amnesia [J].

Brouillette, Jonathan ;

Young, Deborah ;

During, Matthew J. ;

Quirion, Remi .

JOURNAL OF NEUROCHEMISTRY, 2007, 102 (06) :1978-1989

[8]

Cadet J, 1997, BIOL CHEM, V378, P1275

[9] Bundling and Aggregation of DNA by Cationic Dendrimers [J].

Froehlich, E. ;

Mandeville, J. S. ;

Weinert, C. M. ;

Kreplak, L. ;

Tajmir-Riahi, H. A. .

BIOMACROMOLECULES, 2011, 12 (02) :511-517

[10] Docking Studies on DNA Intercalators [J].

Gilad, Yocheved ;

Senderowitz, Hanoch .

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 54 (01) :96-107

← 1 2 3 4 5 →