Effect of Concentration of TiO₂ Nanoparticles on Thiadiazole Derivative and Their Molecular Docking Study.

IF 2.6 4区化学 Q2 BIOCHEMICAL RESEARCH METHODS

Journal of Fluorescence Pub Date : 2024-12-07 DOI:10.1007/s10895-024-04051-7

Shivaprasadagouda Patil, Mahanthesh M Basanagouda, S Christopher Jeyaseelan, Bi Bi Ayisha Mulla, Gangadhar V Muddapur, Uday M Muddapur, Ashok H Sidarai

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引用次数: 0

Abstract

In the present work, we report the synthesis of TiO₂ nanoparticles by hydrothermal method using titanium isopropoxide. The synthesized TiO₂ nanoparticles were investigated by Powder X-ray diffraction, FE-SEM with EDX, Photoluminescence, UV-Visible absorption and Fluorescence emission spectroscopy. Fluorescence intensity and absorption values of 4-[5-(2,5-Dimethyl-pyrrol-1-yl)-[1,3,4]thiadiazol-2-ylsulfanylmethyl]-6-methoxy-chromen-2-one (DTYMC) molecule decreases with adding the concentration of TiO₂ nanoparticles. Stern-Volmer equation for steady state method is found to be linear and its co-relation coefficient is found to be r = 0.88, which indicates the presence of dynamic quenching. Binding orientations of the DTYMC ligand with targeted proteins are Thymidylate synthase (TS) - PDB ID: 1JU6, The type II topoisomerases (TOP2α) - PDB ID: 4FM9 and Human thymidine phosphorylase (hTP) - PDB ID: 2WK6. The obtained result suggests that, the DTYMC molecule exhibits inhibitory activity against the overexpression of TS receptor which causes non-small cell lung cancer (NSCLC). Antimicrobial study of TiO₂ NPs has been determined.

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TiO2纳米粒子浓度对噻二唑衍生物的影响及其分子对接研究。

本文报道了以异丙醇钛为原料，水热法制备TiO2纳米粒子。采用粉末x射线衍射、EDX - FE-SEM、光致发光、紫外-可见吸收光谱和荧光发射光谱对合成的TiO2纳米粒子进行了表征。4-[5-（2,5-二甲基吡咯-1-基）-[1,3,4]噻二唑-2-基磺酰甲基]-6-甲氧基-铬-2-酮（DTYMC）分子的荧光强度和吸收值随着TiO2纳米粒子浓度的增加而降低。稳态法的Stern-Volmer方程是线性的，其相关系数r = 0.88，表明存在动态淬火。DTYMC配体与靶蛋白的结合方向为胸腺苷酸合成酶(TS) - PDB ID: 1JU6， II型拓扑异构酶(TOP2α) - PDB ID: 4FM9和人胸腺苷磷酸化酶(hTP) - PDB ID: 2WK6。结果表明，DTYMC分子具有抑制非小细胞肺癌（NSCLC）中TS受体过表达的活性。对TiO2 NPs进行了抗菌研究。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Fluorescence 化学-分析化学

CiteScore

4.60

自引率

7.40%

发文量

203

审稿时长

5.4 months

期刊介绍： Journal of Fluorescence is an international forum for the publication of peer-reviewed original articles that advance the practice of this established spectroscopic technique. Topics covered include advances in theory/and or data analysis, studies of the photophysics of aromatic molecules, solvent, and environmental effects, development of stationary or time-resolved measurements, advances in fluorescence microscopy, imaging, photobleaching/recovery measurements, and/or phosphorescence for studies of cell biology, chemical biology and the advanced uses of fluorescence in flow cytometry/analysis, immunology, high throughput screening/drug discovery, DNA sequencing/arrays, genomics and proteomics. Typical applications might include studies of macromolecular dynamics and conformation, intracellular chemistry, and gene expression. The journal also publishes papers that describe the synthesis and characterization of new fluorophores, particularly those displaying unique sensitivities and/or optical properties. In addition to original articles, the Journal also publishes reviews, rapid communications, short communications, letters to the editor, topical news articles, and technical and design notes.