COVID-19 and autoimmune diseases
Y Liu, AH Sawalha, Q Lu - Current opinion in rheumatology, 2021 - journals.lww.com
We present a review of the association between COVID-19 and autoimmune diseases,
focusing on similarities in immune responses, cross-reactivity of SARS-CoV-2, the …
focusing on similarities in immune responses, cross-reactivity of SARS-CoV-2, the …
[HTML][HTML] A review on machine learning approaches and trends in drug discovery
P Carracedo-Reboredo, J Liñares-Blanco… - Computational and …, 2021 - Elsevier
Drug discovery aims at finding new compounds with specific chemical properties for the
treatment of diseases. In the last years, the approach used in this search presents an …
treatment of diseases. In the last years, the approach used in this search presents an …
Prediction reliability of QSAR models: an overview of various validation tools
The reliability of any quantitative structure–activity relationship (QSAR) model depends on
multiple aspects such as the accuracy of the input dataset, selection of significant …
multiple aspects such as the accuracy of the input dataset, selection of significant …
Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
First structure–activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: an endeavor on COVID-19 drug discovery
Main protease (Mpro) of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2)
intervenes in the replication and transcription processes of the virus. Hence, it is a lucrative …
intervenes in the replication and transcription processes of the virus. Hence, it is a lucrative …
Repurposing FDA approved drugs as possible anti-SARS-CoV-2 medications using ligand-based computational approaches: sum of ranking difference-based model …
The worldwide burden of coronavirus disease 2019 (COVID-19) is still unremittingly
prevailing, with more than 440 million infections and over 5.9 million deaths documented so …
prevailing, with more than 440 million infections and over 5.9 million deaths documented so …
Rational identification of small molecules derived from 9,10-dihydrophenanthrene as potential inhibitors of 3CLpro enzyme for COVID-19 therapy: a computer-aided …
Abstract Small molecules such as 9, 10-dihydrophenanthrene derivatives have remarkable
activity toward inhibition of SARS-CoV-2 3CLpro and COVID-19 proliferation, which show a …
activity toward inhibition of SARS-CoV-2 3CLpro and COVID-19 proliferation, which show a …
A machine learning regression model for the screening and design of potential SARS-CoV-2 protease inhibitors
GIB Janairo, DEC Yu, JIB Janairo - Network Modeling Analysis in Health …, 2021 - Springer
The widespread infection caused by the 2019 novel corona virus (SARS-CoV-2) has
initiated global efforts to search for antiviral agents. Drug discovery is the first step in the …
initiated global efforts to search for antiviral agents. Drug discovery is the first step in the …
Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study
The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) outbreak is posing a
serious public health threat worldwide in the form of COVD-19. Herein, we have performed …
serious public health threat worldwide in the form of COVD-19. Herein, we have performed …
Computational strategies towards developing novel SARS-CoV-2 Mpro inhibitors against COVID-19
D Luo, JB Tong, X Zhang, XC Xiao, S Bian - Journal of Molecular Structure, 2022 - Elsevier
The COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus 2
(SARS-CoV-2) remains to be a serious threat due to the lack of a specific therapeutic agent …
(SARS-CoV-2) remains to be a serious threat due to the lack of a specific therapeutic agent …