The electric regulation mechanism of drug molecules intercalating with DNA.
Autor: | He L; The School of Optoelectronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing, 400065, China; Chongqing Integrated Circuit Collaborative Innovation Center, No. 36 Xiyong Avenue, Shapingba District, Chongqing, 400065, China. Electronic address: helijun4@126.com., She L; The School of Optoelectronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing, 400065, China; Chongqing Integrated Circuit Collaborative Innovation Center, No. 36 Xiyong Avenue, Shapingba District, Chongqing, 400065, China., Wang L; College of Computer Science and Technology, Chongqing University of Posts and Telecommunications, Chongqing, 400065, China. Electronic address: wangly@cqupt.edu.cn., Mi C; The School of Optoelectronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing, 400065, China; Chongqing Integrated Circuit Collaborative Innovation Center, No. 36 Xiyong Avenue, Shapingba District, Chongqing, 400065, China., Ma K; The School of Optoelectronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing, 400065, China; Chongqing Integrated Circuit Collaborative Innovation Center, No. 36 Xiyong Avenue, Shapingba District, Chongqing, 400065, China., Yu M; The School of Optoelectronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing, 400065, China; Chongqing Integrated Circuit Collaborative Innovation Center, No. 36 Xiyong Avenue, Shapingba District, Chongqing, 400065, China., Long X; The School of Optoelectronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing, 400065, China; Chongqing Integrated Circuit Collaborative Innovation Center, No. 36 Xiyong Avenue, Shapingba District, Chongqing, 400065, China., Zhang C; The School of Optoelectronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing, 400065, China; Chongqing Integrated Circuit Collaborative Innovation Center, No. 36 Xiyong Avenue, Shapingba District, Chongqing, 400065, China. |
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Jazyk: | angličtina |
Zdroj: | Archives of biochemistry and biophysics [Arch Biochem Biophys] 2024 Dec; Vol. 762, pp. 110203. Date of Electronic Publication: 2024 Nov 01. |
DOI: | 10.1016/j.abb.2024.110203 |
Abstrakt: | The insertion of small drug molecules into DNA can change its electrical properties, thereby controlling the probability of its electrical transmission. This characteristic has enabled its widespread application in molecular electronics. However, the current understanding of the intercalation properties and electronic transmission mechanisms is still not deep enough, which severely restricts its practical application. In this paper, the density functional theory and the non-equilibrium Green's function formula are combined to bind three different small drug molecules to the same sequence of DNA through intercalation, in order to discuss the impact of intercalation and molecular structure on the electrical properties of DNA. After inserting two MAR70 molecules, the conductivity decreased from 2.38 × 10 -5 G (Copyright © 2024 Elsevier Inc. All rights reserved.) |
Databáze: | MEDLINE |
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