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

Chamandi Dampalla; Yunjeong Kim; Naemi Bickmeier; Athri D. Rathnayake; Harry Nhat Nguyen; Jian Zheng; Maithri Kashipathy; Matthew A. Baird; Kevin P. Battaile; Scott Lovell; Stanley Perlman; Kyeong-Ok Chang; William C. Groutas; Chamandi Shashikala Dampalla Gamachchige

doi:10.26434/chemrxiv.14781690.v1

Biological and Medicinal Chemistry

Search within Biological and Medicinal Chemistry

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

15 June 2021, Version 1

Working Paper

Show author details

This content is a preprint and has not undergone peer review 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

Title

Description

Actions

Title

dampalla et al-conform constr cyclohex-ms-6-2-2021-R2

Description

Actions

Title

Dampalla etal-Supporting Info-2021

Description

Actions

Comments

Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here .

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Now Published

Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease

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

Metrics

1,093

390

Views

Downloads

Citations

License

The content is available under CC BY NC ND 4.0

DOI

10.26434/chemrxiv.14781690.v1

Author’s competing interest statement

no conflict of interest.

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

Authors

Abstract

Keywords

Supplementary materials

Comments

Now Published

Version History

Metrics

License

DOI

Author’s competing interest statement

Share