PMID- 27392082 OWN - NLM STAT- MEDLINE DCOM- 20180326 LR - 20181202 IS - 1538-0254 (Electronic) IS - 0739-1102 (Linking) VI - 35 IP - 10 DP - 2017 Aug TI - Characterization of the binding of neomycin/paromomycin sulfate with DNA using acridine orange as fluorescence probe and molecular docking technique. PG - 2077-2089 LID - 10.1080/07391102.2016.1207564 [doi] AB - The binding of neomycin sulfate (NS)/paromomycin sulfate (PS) with DNA was investigated by fluorescence quenching using acridine orange (AO) as a fluorescence probe. Fluorescence lifetime, FT-IR, circular dichroism (CD), relative viscosity, ionic strength, DNA melting temperature, and molecular docking were performed to explore the binding mechanism. The binding constant of NS/PS and DNA was 6.70 x 10(3)/1.44 x 10(3) L mol(-1) at 291 K. The values of DeltaH(theta), DeltaS(theta), and DeltaG(theta) suggested that van der Waals force or hydrogen bond might be the main binding force between NS/PS and DNA. The results of Stern-Volmer plots and fluorescence lifetime measurements all revealed that NS/PS quenching the fluorescence of DNA-AO was static in nature. FT-IR indicated that the interaction between DNA and NS/PS did occur. The relative viscosity and melting temperature of DNA were almost unchanged when NS/PS was introduced to the solution. The fluorescence intensity of NS/PS-DNA-AO was decreased with the increase in the ionic strength. For CD spectra of DNA, the intensity of positive band at nearly 275 nm was decreased and that of negative band at nearly 245 nm was increased with the increase in the concentration of NS/PS. The binding constant of NS/PS with double-stranded DNA (dsDNA) was larger than that of NS/PS with single-stranded DNA (ssDNA). From these studies, the binding mode of NS/PS with DNA was evaluated to be groove binding. The results of molecular docking further indicated that NS/PS could enter into the minor groove in the A-T rich region of DNA. FAU - Zhou, Huifeng AU - Zhou H AD - a College of Chemistry , Changchun Normal University , Changchun 130032 , P.R. China. FAU - Bi, Shuyun AU - Bi S AD - a College of Chemistry , Changchun Normal University , Changchun 130032 , P.R. China. FAU - Wang, Yu AU - Wang Y AD - a College of Chemistry , Changchun Normal University , Changchun 130032 , P.R. China. FAU - Wu, Jun AU - Wu J AD - a College of Chemistry , Changchun Normal University , Changchun 130032 , P.R. China. LA - eng PT - Journal Article DEP - 20160717 PL - England TA - J Biomol Struct Dyn JT - Journal of biomolecular structure & dynamics JID - 8404176 RN - 0 (DNA, Single-Stranded) RN - 0 (Fluorescent Dyes) RN - 0 (Solutions) RN - 61JJC8N5ZK (Paromomycin) RN - 9007-49-2 (DNA) RN - 91080-16-9 (calf thymus DNA) RN - F30N4O6XVV (Acridine Orange) RN - I16QD7X297 (Neomycin) SB - IM MH - Acridine Orange/*chemistry MH - Animals MH - Binding Sites MH - Cattle MH - DNA/*chemistry MH - DNA, Single-Stranded/*chemistry MH - Fluorescent Dyes/*chemistry MH - Hydrogen Bonding MH - Kinetics MH - Molecular Docking Simulation MH - Neomycin/*chemistry MH - Nucleic Acid Conformation MH - Nucleic Acid Denaturation MH - Osmolar Concentration MH - Paromomycin/*chemistry MH - Solutions MH - Temperature MH - Thermodynamics MH - Viscosity OTO - NOTNLM OT - DNA OT - acridine orange OT - groove binding OT - neomycin sulfate OT - paromomycin sulfates EDAT- 2016/07/09 06:00 MHDA- 2018/03/27 06:00 CRDT- 2016/07/09 06:00 PHST- 2016/07/09 06:00 [pubmed] PHST- 2018/03/27 06:00 [medline] PHST- 2016/07/09 06:00 [entrez] AID - 10.1080/07391102.2016.1207564 [doi] PST - ppublish SO - J Biomol Struct Dyn. 2017 Aug;35(10):2077-2089. doi: 10.1080/07391102.2016.1207564. Epub 2016 Jul 17.