Targeting Opportunity: SARS-CoV-2 nsp3 Macrodomain (Mac-1)

<aside> 💡 Executive summary:

<aside> 💡 Initial rationale for targeting macrodomain: Coronaviruses with Mac1 deletion show significant replication and pathogenesis defects in vivo in mouse models.

<aside> 💡 Biological rationale: Mac1 removes ADP ribose from viral and host cell proteins. The removal of this post-translational modification reduces the inflammatory and antiviral responses to infection — facilitating replication.

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<aside> 💡 In related coronaviruses (MHV, MERS-CoV), ΔMac1 virus does not replicate in several immortalized in vitro cell line models.

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<aside> 💡 In vivo, in a mouse model of severe SARS-CoV-2 infection, the SARS-CoV-2 ΔMac1 mutant virus was quickly cleared — with minimal pathology and no morbidity.

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<aside> 💡 Observing significant replication defects in vitro in cell lines in response to inhibition of SARS-CoV-2 Mac1 activity may require intact innate immunity in these cell lines.

<aside> 💡 Recent evidence shows ΔMac1 has no replication deficit in Calu-3 — but 2-3x reduction in ΔMac1 titers in A549-ACE2 [1]

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<aside> 💡 Mac1 N40D inactivating mutation shows large replication deficit in Calu-3 cells only when treated with IFN𝛄 [2].

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<aside> 💡 ASAP has produced multiple potent, cell-permeable, tool-like, SARS-CoV-2 nsp3 Mac1 inhibitors.

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<aside> 💡 We have not identified in vitro cellular antiviral assays capable of driving a Mac1 lead optimization program.

<aside> 💡 ASAP’s efforts to develop an effective cell line model for inhibitor testing have included:

<aside> 💡 However, these have not produced a useful in vitro cellular model capable of driving our programs forward.

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<aside> 💡 Some inhibitors appear to show cellular antiviral activity, but we do not think these act via Mac1 inhibition.

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<aside> 💡 Because of this, we have decided to pause the Mac1 discovery program – following P3 to P5 transition learnings.

<aside> 💡 ASAP nsp3 Mac1 program will be paused and our learnings / chemical tools rapidly disseminated online and in a preprint.

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<aside> 💡 A few additional experiments are being conducted to give a comprehensive assessment in preprint.

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Table of Contents

Executive summary

I. Introduction

II. Clinical background, symptoms, history, and outbreaks

III. Virus biology

IV. Target properties

V. Target structure

VI. Targeting strategies for inhibitor discovery

VII. Inhibitors

VIII. Assays

IX. Drug resistance

X. Relevant literature

I. Introduction

Biological rationale for antiviral effect of macrodomain 1 inhibition: