Despoina P Kiouri, Charalampos Ntallis, Konstantinos Kelaidonis, Massimiliano Peana, Sotirios Tsiodras, Thomas Mavromoustakos, Alessandro Giuliani, Harry Ridgway, Graham J Moore, John M Matsoukas, Christos T Chasapis
{"title":"通过蛋白质组和药物-靶点相互作用组,基于网络预测针对 COVID-19 的重塑用途抗高血压沙坦类药物的副作用","authors":"Despoina P Kiouri, Charalampos Ntallis, Konstantinos Kelaidonis, Massimiliano Peana, Sotirios Tsiodras, Thomas Mavromoustakos, Alessandro Giuliani, Harry Ridgway, Graham J Moore, John M Matsoukas, Christos T Chasapis","doi":"10.3390/proteomes11020021","DOIUrl":null,"url":null,"abstract":"<p><p>The potential of targeting the Renin-Angiotensin-Aldosterone System (RAAS) as a treatment for the coronavirus disease 2019 (COVID-19) is currently under investigation. One way to combat this disease involves the repurposing of angiotensin receptor blockers (ARBs), which are antihypertensive drugs, because they bind to angiotensin-converting enzyme 2 (ACE2), which in turn interacts with the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein. However, there has been no in silico analysis of the potential toxicity risks associated with the use of these drugs for the treatment of COVID-19. To address this, a network-based bioinformatics methodology was used to investigate the potential side effects of known Food and Drug Administration (FDA)-approved antihypertensive drugs, Sartans. This involved identifying the human proteins targeted by these drugs, their first neighbors, and any drugs that bind to them using publicly available experimentally supported data, and subsequently constructing proteomes and protein-drug interactomes. This methodology was also applied to Pfizer's Paxlovid, an antiviral drug approved by the FDA for emergency use in mild-to-moderate COVID-19 treatment. The study compares the results for both drug categories and examines the potential for off-target effects, undesirable involvement in various biological processes and diseases, possible drug interactions, and the potential reduction in drug efficiency resulting from proteoform identification.</p>","PeriodicalId":20877,"journal":{"name":"Proteomes","volume":"11 2","pages":""},"PeriodicalIF":4.0000,"publicationDate":"2023-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10305495/pdf/","citationCount":"0","resultStr":"{\"title\":\"Network-Based Prediction of Side Effects of Repurposed Antihypertensive Sartans against COVID-19 via Proteome and Drug-Target Interactomes.\",\"authors\":\"Despoina P Kiouri, Charalampos Ntallis, Konstantinos Kelaidonis, Massimiliano Peana, Sotirios Tsiodras, Thomas Mavromoustakos, Alessandro Giuliani, Harry Ridgway, Graham J Moore, John M Matsoukas, Christos T Chasapis\",\"doi\":\"10.3390/proteomes11020021\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The potential of targeting the Renin-Angiotensin-Aldosterone System (RAAS) as a treatment for the coronavirus disease 2019 (COVID-19) is currently under investigation. One way to combat this disease involves the repurposing of angiotensin receptor blockers (ARBs), which are antihypertensive drugs, because they bind to angiotensin-converting enzyme 2 (ACE2), which in turn interacts with the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein. However, there has been no in silico analysis of the potential toxicity risks associated with the use of these drugs for the treatment of COVID-19. To address this, a network-based bioinformatics methodology was used to investigate the potential side effects of known Food and Drug Administration (FDA)-approved antihypertensive drugs, Sartans. This involved identifying the human proteins targeted by these drugs, their first neighbors, and any drugs that bind to them using publicly available experimentally supported data, and subsequently constructing proteomes and protein-drug interactomes. This methodology was also applied to Pfizer's Paxlovid, an antiviral drug approved by the FDA for emergency use in mild-to-moderate COVID-19 treatment. The study compares the results for both drug categories and examines the potential for off-target effects, undesirable involvement in various biological processes and diseases, possible drug interactions, and the potential reduction in drug efficiency resulting from proteoform identification.</p>\",\"PeriodicalId\":20877,\"journal\":{\"name\":\"Proteomes\",\"volume\":\"11 2\",\"pages\":\"\"},\"PeriodicalIF\":4.0000,\"publicationDate\":\"2023-06-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10305495/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Proteomes\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.3390/proteomes11020021\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"BIOCHEMISTRY & MOLECULAR BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Proteomes","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3390/proteomes11020021","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
引用次数: 0
摘要
目前正在研究以肾素-血管紧张素-醛固酮系统(RAAS)为靶点治疗 2019 年冠状病毒病(COVID-19)的可能性。抗击这种疾病的一种方法是重新利用血管紧张素受体阻滞剂(ARB),这是一种抗高血压药物,因为它们与血管紧张素转换酶2(ACE2)结合,而ACE2又与严重急性呼吸系统综合征冠状病毒2(SARS-CoV-2)的尖峰蛋白相互作用。然而,目前还没有对使用这些药物治疗 COVID-19 所带来的潜在毒性风险进行硅学分析。为了解决这个问题,我们采用了一种基于网络的生物信息学方法来研究已知的美国食品和药物管理局(FDA)批准的降压药沙坦类药物的潜在副作用。这包括利用公开可用的实验支持数据,识别这些药物靶向的人类蛋白质、它们的第一邻域以及与它们结合的任何药物,随后构建蛋白质组和蛋白质-药物相互作用组。这种方法也适用于辉瑞公司的 Paxlovid,这是一种经 FDA 批准用于轻度至中度 COVID-19 治疗的抗病毒药物。该研究比较了这两类药物的结果,并考察了蛋白质形式鉴定可能产生的脱靶效应、对各种生物过程和疾病的不良影响、可能的药物相互作用以及可能导致的药物效率降低。
Network-Based Prediction of Side Effects of Repurposed Antihypertensive Sartans against COVID-19 via Proteome and Drug-Target Interactomes.
The potential of targeting the Renin-Angiotensin-Aldosterone System (RAAS) as a treatment for the coronavirus disease 2019 (COVID-19) is currently under investigation. One way to combat this disease involves the repurposing of angiotensin receptor blockers (ARBs), which are antihypertensive drugs, because they bind to angiotensin-converting enzyme 2 (ACE2), which in turn interacts with the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein. However, there has been no in silico analysis of the potential toxicity risks associated with the use of these drugs for the treatment of COVID-19. To address this, a network-based bioinformatics methodology was used to investigate the potential side effects of known Food and Drug Administration (FDA)-approved antihypertensive drugs, Sartans. This involved identifying the human proteins targeted by these drugs, their first neighbors, and any drugs that bind to them using publicly available experimentally supported data, and subsequently constructing proteomes and protein-drug interactomes. This methodology was also applied to Pfizer's Paxlovid, an antiviral drug approved by the FDA for emergency use in mild-to-moderate COVID-19 treatment. The study compares the results for both drug categories and examines the potential for off-target effects, undesirable involvement in various biological processes and diseases, possible drug interactions, and the potential reduction in drug efficiency resulting from proteoform identification.
ProteomesBiochemistry, Genetics and Molecular Biology-Clinical Biochemistry
CiteScore
6.50
自引率
3.00%
发文量
37
审稿时长
11 weeks
期刊介绍:
Proteomes (ISSN 2227-7382) is an open access, peer reviewed journal on all aspects of proteome science. Proteomes covers the multi-disciplinary topics of structural and functional biology, protein chemistry, cell biology, methodology used for protein analysis, including mass spectrometry, protein arrays, bioinformatics, HTS assays, etc. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the length of papers. Scope: -whole proteome analysis of any organism -disease/pharmaceutical studies -comparative proteomics -protein-ligand/protein interactions -structure/functional proteomics -gene expression -methodology -bioinformatics -applications of proteomics