Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2022 Jan 12;14(1):176. doi: 10.3390/pharmaceutics14010176

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© 2022 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

PMC Copyright notice

Docking results of 12 candidate compounds for 3CL^pro. (a) Afatinib, atorvastatin, dactinomycin and doxorubicin. (b) Ethacrynic acid, homoharringtonine, mepacrine and neratinib. (c) Niclosamide, rapamycin, tamoxifen and vemurafenib. These results present the pose 1 binding pattern of each compound in the whole protein and polar contact residue view. 3CL^pro and compounds are shown in cyan and green, respectively. The polar contacts are marked with yellow dashes.

Docking results of 12 candidate compounds for 3CL^pro. (a) Afatinib, atorvastatin, dactinomycin and doxorubicin. (b) Ethacrynic acid, homoharringtonine, mepacrine and neratinib. (c) Niclosamide, rapamycin, tamoxifen and vemurafenib. These results present the pose 1 binding pattern of each compound in the whole protein and polar contact residue view. 3CL^pro and compounds are shown in cyan and green, respectively. The polar contacts are marked with yellow dashes.