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Structure-Guided Design of Conformationally-Constrained Cyclohexane Inhibitors of SARS-CoV-2 3CL Protease

15 June 2021, Version 1
Working Paper
This content is an early or alternative research output and has not been peer-reviewed by Cambridge University Press at the time of posting.

Abstract

A series of non-deuterated and deuterated dipeptidyl aldehyde and masked aldehyde inhibitors that incorporate in their structure a conformationally-constrained cyclohexane moiety was synthesized and found to potently inhibit SARS-CoV-2 3CL protease in biochemical and cell-based assays.

Keywords

SARS coronavirus
SARS-CoV-2 Mpro inhibitors, COVID-19
Protease Inhibitor Library

Supplementary materials

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Title
dampalla et al-conform constr cyclohex-ms-6-2-2021-R2
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Dampalla etal-Supporting Info-2021
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Now Published

Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease [opens in a new tab]
Chamandi S. Dampalla, Yunjeong Kim, Naemi Bickmeier, Athri D. Rathnayake, Harry Nhat Nguyen, Jian Zheng, Maithri M. Kashipathy, Matthew A. Baird, Kevin P. Battaile, Scott Lovell, Stanley Perlman, Kyeong-Ok Chang, William C. Groutas journal article
Journal of Medicinal Chemistry , Volume 64, Issue 14
Online publication date: Jul 02, 2021

Version History

Jun 15, 2021 Version 1

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.14781690.v1
D O I: 10.26434/chemrxiv.14781690.v1 [opens in a new tab]

Author’s competing interest statement

no conflict of interest.

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