Identification and validation of Triamcinolone and Gallopamil as treatments for early COVID-19 via an in silico repurposing pipeline

• URL: http://arxiv.org/abs/2107.02905v1
• Date: Mon, 5 Jul 2021 13:08:24 GMT
• Title: Identification and validation of Triamcinolone and Gallopamil as treatments for early COVID-19 via an in silico repurposing pipeline
• Authors: M\'eabh MacMahon, Woochang Hwang, Soorin Yim, Eoghan MacMahon, Alexandre Abraham, Justin Barton, Mukunthan Tharmakulasingam, Paul Bilokon, Vasanthi Priyadarshini Gaddi, Namshik Han
• Abstract summary: SARS-CoV-2, the causative virus of COVID-19 continues to cause an ongoing global pandemic. Drug repurposing provides an opportunity to deploy drugs for COVID-19 more rapidly than developing novel therapeutics. This in silico study uses structural similarity to clinical trial drugs to identify two drugs with potential applications to treat early COVID-19.
• Score: 47.453507636022444
• License: http://creativecommons.org/licenses/by-nc-nd/4.0/
• Abstract: SARS-CoV-2, the causative virus of COVID-19 continues to cause an ongoing global pandemic. Therapeutics are still needed to treat mild and severe COVID-19. Drug repurposing provides an opportunity to deploy drugs for COVID-19 more rapidly than developing novel therapeutics. Some existing drugs have shown promise for treating COVID-19 in clinical trials. This in silico study uses structural similarity to clinical trial drugs to identify two drugs with potential applications to treat early COVID-19. We apply in silico validation to suggest a possible mechanism of action for both. Triamcinolone is a corticosteroid structurally similar to Dexamethasone. Gallopamil is a calcium channel blocker structurally similar to Verapamil. We propose that both these drugs could be useful to treat early COVID-19 infection due to the proximity of their targets within a SARS-CoV-2-induced protein-protein interaction network to kinases active in early infection, and the APOA1 protein which is linked to the spread of COVID-19.

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