Kiouri Despoina P, Ntallis Charalampos, Kelaidonis Konstantinos, Peana Massimiliano, Tsiodras Sotirios, Mavromoustakos Thomas, Giuliani Alessandro, Ridgway Harry, Moore Graham J, Matsoukas John M, Chasapis Christos T
Institute of Chemical Biology, National Hellenic Research Foundation, 11635 Athens, Greece.
Department of Chemistry, Laboratory of Organic Chemistry, National Kapodistrian University of Athens, 15772 Athens, Greece.
Proteomes. 2023 Jun 8;11(2):21. doi: 10.3390/proteomes11020021.
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.
将肾素-血管紧张素-醛固酮系统(RAAS)作为2019冠状病毒病(COVID-19)的一种治疗方法的潜力目前正在研究中。对抗这种疾病的一种方法涉及重新利用作为抗高血压药物的血管紧张素受体阻滞剂(ARB),因为它们与血管紧张素转换酶2(ACE2)结合,而ACE2又与严重急性呼吸综合征冠状病毒2(SARS-CoV-2)刺突蛋白相互作用。然而,尚未对使用这些药物治疗COVID-19的潜在毒性风险进行计算机模拟分析。为了解决这个问题,一种基于网络的生物信息学方法被用于研究美国食品药品监督管理局(FDA)批准的已知抗高血压药物沙坦类药物的潜在副作用。这包括使用公开可用的实验支持数据确定这些药物靶向的人类蛋白质、它们的一级邻域以及与之结合的任何药物,随后构建蛋白质组和蛋白质-药物相互作用组。这种方法也应用于辉瑞公司的帕罗韦德,一种被FDA批准用于轻度至中度COVID-19治疗的紧急使用的抗病毒药物。该研究比较了这两类药物的结果,并研究了脱靶效应的可能性、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蛋白质异构体鉴定导致的药物效率潜在降低。