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However, the potential effect of DNP on DNA is still unclear. Therefore, the interaction of DNP with calf thymus DNA (DNA) was studied <jats:italic>in vitro<\/jats:italic> using spectroscopic and molecular docking methods. Steady\u2010state and transient fluorescence experiments showed that there was a clear binding interaction between DNP and DNA, resulting from DNP fluorescence being quenched using DNA. DNP and DNA have one binding site between them, and the binding constant (K<jats:sub>b<\/jats:sub>) was 0.78 \u00d7 10<jats:sup>4<\/jats:sup> L\u00b7mol<jats:sup>\u22121<\/jats:sup> at 298 K. In this binding process, hydrophobic force was the main interaction force, because enthalpy change (\u0394H) and entropy change (\u0394S) of DNP\u2013DNA were 67.92 kJ\u00b7mol<jats:sup>\u22121<\/jats:sup> and 302.96 J\u00b7mol<jats:sup>\u22121<\/jats:sup>\u00b7K<jats:sup>\u22121<\/jats:sup>, respectively. DNP bound to DNA in a groove\u2010binding mode, which was verified using a competition displacement study and other typical spectroscopic methods. Fourier transform infrared (FTIR) spectrum results showed that DNP interacted with guanine (G) and cytosine (C) bases of DNA. The molecular docking results further supported the results of spectroscopic experiments, and suggested that both Pi\u2010Sigma force and Pi\u2010Alkyl force were the major hydrophobic force functioning between DNP and DNA.<\/jats:p>","DOI":"10.1002\/bio.3911","type":"journal-article","created":{"date-parts":[[2020,7,2]],"date-time":"2020-07-02T06:31:27Z","timestamp":1593671487000},"page":"35-44","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":11,"title":["Exploring the binding mode of donepezil with calf thymus DNA using spectroscopic and molecular docking methods"],"prefix":"10.1002","volume":"36","author":[{"given":"Hui","family":"Guo","sequence":"first","affiliation":[{"name":"College of Chemistry Nanchang University  Nanchang Jiangxi China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jiawen","family":"Xie","sequence":"additional","affiliation":[{"name":"College of Chemistry Nanchang University  Nanchang Jiangxi China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tancong","family":"Liao","sequence":"additional","affiliation":[{"name":"School of Life Sciences Nanchang University  Nanchang Jiangxi China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5766-763X","authenticated-orcid":false,"given":"Xun","family":"Tuo","sequence":"additional","affiliation":[{"name":"College of Chemistry Nanchang University  Nanchang Jiangxi China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2020,7,18]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature24659"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.exger.2020.110951"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2013.06.009"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature10887"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkz824"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.saa.2015.02.049"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1021\/bm101414w"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2014.10.017"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jpba.2018.08.033"},{"key":"e_1_2_7_11_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0129817"},{"key":"e_1_2_7_12_1","doi-asserted-by":"publisher","DOI":"10.1038\/nrg3966"},{"key":"e_1_2_7_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2005.12.002"},{"key":"e_1_2_7_14_1","doi-asserted-by":"publisher","DOI":"10.1254\/jjp.89.7"},{"key":"e_1_2_7_15_1","first-page":"1457","volume":"10","author":"Pasqualetti G.","year":"2015","journal-title":"Clin. 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