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Drug-repurposing against COVID-19 by targeting a key signaling pathway: An in silico study

Currently, a plethora of information has been accumulated concerning COVID-19, including the transmission pathway of SARs-CoV-2. Thus, we retrieved targets associated with the development of COVID-19 via PubChem. A total of 517 targets were identified, and signaling pathways responded after infection of SARs-CoV-2 in humans constructed a bubble chart using RPackage. The bubble chart result suggested that the key signaling pathway against COVID-19 was the estrogen signaling pathway associated with AKT1, HSP90AB1, BCL2 targets. The three targets have the strongest affinity with three ligands-Akti-1/2, HSP990, S55746, respectively. In conclusion, this work provides three key elements to alleviate COVID-19 symptoms might be anti-inflammatory effects on SARs-CoV-2-infected lung cells.

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S7097 HSP990 (NVP-HSP990) HSP990 (NVP-HSP990) is a novel, potent and selective HSP90 inhibitor for HSP90α/β with IC50 of 0.6 nM/0.8 nM. NVP-HSP990 induces cell cycle arrest and apoptosis.

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