Photophysical and Docking Studies of Schiff Base Coupled Silane: A Probe for Sn2+ Detection and PI3Kα Inhibitor for Cancer Treatment

IF 3.7 2区化学 Q2 CHEMISTRY, APPLIED Applied Organometallic Chemistry Pub Date : 2024-12-10 DOI:10.1002/aoc.7947

Gurjaspreet Singh, Tamana, Sumesh Khurana, Mithun, Devina Sharma, Pallavi Markan, Tsering Diskit, Parul, K. N. Singh

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Abstract

Cancer, a leading cause of death globally, necessitates clinical research to develop effective solutions to reduce mortality rates. Currently, scientists are focusing on two prominent topics in cancer treatment: the presence of Sn²⁺ in cells and the inhibition of the phosphoinositide 3-kinase enzyme (PI3Kα). In this study, Schiff base-coupled silane 7a {C₂₆H₃₅N₅O₆Si (M + H⁺ = 540.53)} has been synthesized that could detect Sn²⁺, which in trace amounts can help prevent cancer, and it also inhibits PI3Kα enzyme, thereby preventing the rapid proliferation of cancer cells. The detection limit and binding constant calculated via Fluorescence studies were found to be 3.46 × 10⁻⁸ M and 9.4 × 10⁴ M⁻¹, respectively. The value of inhibition constant of silane for PI3Kα enzyme was also found to be 2.52 nM via molecular docking.

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希夫碱偶联硅烷的光物理和 Docking 研究：用于 Sn2+ 检测的探针和治疗癌症的 PI3Kα 抑制剂

癌症是导致全球死亡的主要原因之一，因此有必要开展临床研究，以开发有效的解决方案来降低死亡率。目前，科学家们正在关注癌症治疗中的两个重要课题：细胞中 Sn2+ 的存在和磷酸肌酸 3- 激酶（PI3Kα）的抑制。本研究合成了希夫碱偶联硅烷 7a {C26H35N5O6Si (M + H+ = 540.53)} ，它可以检测微量的 Sn2+，有助于预防癌症，同时它还能抑制 PI3Kα 酶，从而防止癌细胞快速增殖。通过荧光研究计算出的检测限和结合常数分别为 3.46 × 10-8 M 和 9.4 × 104 M-1。通过分子对接，还发现硅烷对 PI3Kα 酶的抑制常数为 2.52 nM。

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

Applied Organometallic Chemistry 化学-无机化学与核化学

CiteScore

7.80

自引率

10.30%

发文量

408

审稿时长

2.2 months

期刊介绍： All new compounds should be satisfactorily identified and proof of their structure given according to generally accepted standards. Structural reports, such as papers exclusively dealing with synthesis and characterization, analytical techniques, or X-ray diffraction studies of metal-organic or organometallic compounds will not be considered. The editors reserve the right to refuse without peer review any manuscript that does not comply with the aims and scope of the journal. Applied Organometallic Chemistry publishes Full Papers, Reviews, Mini Reviews and Communications of scientific research in all areas of organometallic and metal-organic chemistry involving main group metals, transition metals, lanthanides and actinides. All contributions should contain an explicit application of novel compounds, for instance in materials science, nano science, catalysis, chemical vapour deposition, metal-mediated organic synthesis, polymers, bio-organometallics, metallo-therapy, metallo-diagnostics and medicine. Reviews of books covering aspects of the fields of focus are also published.