由人工智能和机器学习支持的 SARS-CoV-2 诱导的磷酸化及其药物疗法

IF 2.4 Q3 MEDICINE, RESEARCH & EXPERIMENTAL

Future Science OA Pub Date : 2024-01-10 DOI:10.2144/fsoa-2023-0112

Fouzia Qamar, Zubair Sharif, J. Idrees, Asif Wasim, Sana Haider, Saad Salman

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引用次数: 0

摘要

目的：研究磷酸化在 SARS-CoV-2 感染中的作用、潜在治疗靶点及其有害基因序列。材料与方法：采用数据挖掘技术鉴定导致 SARS-CoV-2 引起的蛋白质组变化的上调激酶。利用 SNAP2、MutPred2、PhD-SNP、SNPs&Go、MetaSNP、Predict-SNP 和 PolyPhen-2 等预测工具分析了尖峰蛋白和核壳蛋白的序列。利用基于集合的算法和基于同源性/结构的模型（如 SIFT、PROVEAN、Predict-SNP 和 MutPred-2）识别错义变异。结果在病毒序列中发现了 8 个错义变异。利用 SNPs&Go 和 PolyPhen-2 发现了 4 个破坏性变异。确定了有希望的候选治疗药物，包括吉特替尼、pictilisib、索拉非尼、RO5126766 和 omipalisib。结论这项研究有助于深入了解 SARS-CoV-2 的致病性，突出了潜在的治疗方法和病毒蛋白中的有害变异。

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SARS-CoV-2-induced phosphorylation and its pharmacotherapy backed by artificial intelligence and machine learning

Aims: To investigate the role of phosphorylation in SARS-CoV-2 infection, potential therapeutic targets and its harmful genetic sequences. Materials & Methods: Data mining techniques were employed to identify upregulated kinases responsible for proteomic changes induced by SARS-CoV-2. Spike and nucleocapsid proteins' sequences were analyzed using predictive tools, including SNAP2, MutPred2, PhD-SNP, SNPs&Go, MetaSNP, Predict-SNP and PolyPhen-2. Missense variants were identified using ensemble-based algorithms and homology/structure-based models like SIFT, PROVEAN, Predict-SNP and MutPred-2. Results: Eight missense variants were identified in viral sequences. Four damaging variants were found, with SNPs&Go and PolyPhen-2. Promising therapeutic candidates, including gilteritinib, pictilisib, sorafenib, RO5126766 and omipalisib, were identified. Conclusion: This research offers insights into SARS-CoV-2 pathogenicity, highlighting potential treatments and harmful variants in viral proteins.

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来源期刊

Future Science OA MEDICINE, RESEARCH & EXPERIMENTAL-

CiteScore

5.00

自引率

4.00%

发文量

审稿时长

13 weeks

期刊介绍： Future Science OA is an online, open access, peer-reviewed title from the Future Science Group. The journal covers research and discussion related to advances in biotechnology, medicine and health. The journal embraces the importance of publishing all good-quality research with the potential to further the progress of research in these fields. All original research articles will be considered that are within the journal''s scope, and have been conducted with scientific rigour and research integrity. The journal also features review articles, editorials and perspectives, providing readers with a leading source of commentary and analysis. Submissions of the following article types will be considered: -Research articles -Preliminary communications -Short communications -Methodologies -Trial design articles -Trial results (including early-phase and negative studies) -Reviews -Perspectives -Commentaries