Exploring the interaction of biologically active compounds with DNA through the application of the SwitchSense technique, UV-Vis spectroscopy, and computational methods

被引：2

作者：

Ciesielska, Aleksandra ^{[1
]}

Brzeski, Jakub ^{[1
]}

Zarzeczanska, Dorota ^{[1
]}

Stasiuk, Magdalena ^{[1
]}

Makowski, Mariusz ^{[1
]}

Brzeska, Sandra ^{[1
]}

机构：

[1] Univ Gdansk, Fac Chem, Wita Stwosza 63, PL-80308 Gdansk, Poland

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2024年 / 316卷

关键词：

Interaction with biomolecules; DNA; Bioactive compounds; SwitchSense technique; Computational studies; UV -Vis spectrophotometry; BASIS-SET; NETROPSIN; BINDING; ANTHRAQUINONES; REFINEMENT; DISTAMYCIN; STRAINS;

D O I：

10.1016/j.saa.2024.124313

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

DNA is a key target for anticancer and antimicrobial drugs. Assessing the bioactivity of compounds involves in silico and instrumental studies to determine their affinity for biomolecules like DNA. This study explores the potential of the switchSense technique in rapidly evaluating compound bioactivity towards DNA. By combining switchSense with computational methods and UV-Vis spectrophotometry, various bioactive compounds' interactions with DNA were analyzed. The objects of the study were: netropsin (as a model compound that binds in the helical groove), as well as derivatives of pyrazine (PTCA), sulfonamide (NbutylS), and anthraquinone (AQNetOH). Though no direct correlation was found between switchSense kinetics and binding modes, this research suggests the technique's broader utility in assessing new compounds' interactions with DNA. used as analytes whose interactions with DNA have not been yet fully described in the literature.

引用

页数：12

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