D3Rings: A Fast and Accurate Method for Ring System Identification and Deep Generation of Drug-Like Cyclic Compounds-Reference-Cited by-同舟云学术

D3Rings: A Fast and Accurate Method for Ring System Identification and Deep Generation of Drug-Like Cyclic Compounds

Published:2024-01-11 Issue:3 Volume:64 Page:724-736
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Ma Minfei¹²,Zhang Xinben¹,Zhou Liping¹²,Han Zijian¹²,Shi Yulong¹²,Li Jintian¹²,Wu Leyun¹²,Xu Zhijian¹²^ORCID,Zhu Weiliang¹²^ORCID

Affiliation:

1. Stake Key Laboratory of Drug Research; Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China

2. School of Pharmacy, University of Chinese Academy of Sciences, Beijing 100049, China

Funder

National Key Research and Development Program of China

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01657

Reference44 articles.

1. An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19

2. S-217622, a 3CL Protease Inhibitor and Clinical Candidate for SARS-CoV-2

3. An orally bioavailable broad-spectrum antiviral inhibits SARS-CoV-2 in human airway epithelial cell cultures and multiple coronaviruses in mice

4. Effectiveness of Covid-19 Vaccines in Ambulatory and Inpatient Care Settings

5. Safety, tolerability, and pharmacokinetics of VV116, an oral nucleoside analog against SARS-CoV-2, in Chinese healthy subjects

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