Targeting Multiple Conformations of SARS-CoV2 Papain-Like Protease for Drug Repositioning: An In-silico Study
Published in Computers in Biology and Medicine
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Network pharmacology and RNA-sequencing reveal the molecular mechanism of Xuebijing injection on COVID-19-induced cardia...
Published in Computers in Biology and Medicine
Background Coronavirus disease 2019 (COVID-19) is an emerging infectious disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Up to 20%–30% of patients hospitalized with COVID-19 have evidence of cardiac dysfunction. Xuebijing injection is a compound injection containing five traditional Chinese medicine ingredients, whic...
UMAP-assisted K -means clustering of large-scale SARS-CoV-2 mutation datasets
Published in Computers in Biology and Medicine
Coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has a worldwide devastating effect. Understanding the evolution and transmission of SARS-CoV-2 is of paramount importance for controlling, combating and preventing COVID-19. Due to the rapid growth in both the number of SARS-CoV-2 genome seque...
Analogue discovery of safer alternatives to HCQ and CQ drugs for SAR-CoV-2 by computational design
Published in Computers in Biology and Medicine
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A narrative review on characterization of acute respiratory distress syndrome in COVID-19-infected lungs using artificia...
...Published in Computers in Biology and Medicine
COVID-19 has infected 77.4 million people worldwide and has caused 1.7 million fatalities as of December 21, 2020. The primary cause of death due to COVID-19 is Acute Respiratory Distress Syndrome (ARDS). According to the World Health Organization (WHO), people who are at least 60 years old or have comorbidities that have primarily been targeted ar...
A meta-analysis of comorbidities in COVID-19: Which diseases increase the susceptibility of SARS-CoV-2 infection?
Published in Computers in Biology and Medicine
Comorbidities in COVID-19 patients often lead to more severe outcomes. The disease-specific molecular events, which may induce susceptibility to Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) infection, are being investigated. To assess this, we retrieved array-based gene expression datasets from patients of 30 frequently occurring ac...
Lightweight deep learning models for detecting COVID-19 from chest X-ray images.
Published in Computers in biology and medicine
Deep learning methods have already enjoyed an unprecedented success in medical imaging problems. Similar success has been evidenced when it comes to the detection of COVID-19 from medical images, therefore deep learning approaches are considered good candidates for detecting this disease, in collaboration with radiologists and/or physicians. In thi...
A computational drug repurposing approach in identifying the cephalosporin antibiotic and anti-hepatitis C drug derivati...
Published in Computers in biology and medicine
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused over 1.4 million deaths worldwide. Repurposing existing drugs offers the fastest opportunity to identify new indications for existing drugs as a stable solution against coronavirus disease 2019 (COVID-19). The SARS-CoV-2 main protease (Mpro) is a critical target for designi...
Identification of FDA approved drugs and nucleoside analogues as potential SARS-CoV-2 A1pp domain inhibitor: An in silic...
Published in Computers in biology and medicine
Coronaviruses are known to infect respiratory tract and intestine. These viruses possess highly conserved viral macro domain A1pp having adenosine diphosphate (ADP)-ribose binding and phosphatase activity sites. A1pp inhibits adenosine diphosphate (ADP)-ribosylation in the host and promotes viral infection and pathogenesis. We performed in silico s...
Identification and computational analysis of mutations in SARS-CoV-2
Published in Computers in Biology and Medicine
SARS-CoV-2 infection has become a worldwide pandemic and is spreading rapidly to people across the globe. To combat the situation, vaccine design is the essential solution. Mutation in the virus genome plays an important role in limiting the working life of a vaccine. In this study, we have identified several mutated clusters in the structural prot...
