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A molecular and cellular understanding of how SARS-CoV-2 variably infects and causes severe COVID-19 remains a bottleneck in developing interventions to end the pandemic. We sought to use deep learning to study the biology of SARS-CoV-2…

Machine Learning · Computer Science 2020-12-16 Arijit Sehanobish , Neal G. Ravindra , David van Dijk

Drug repurposing can accelerate the identification of effective compounds for clinical use against SARS-CoV-2, with the advantage of pre-existing clinical safety data and an established supply chain. RNA viruses such as SARS-CoV-2…

Drug discovery is vitally important for protecting human against disease. Target-based screening is one of the most popular methods to develop new drugs in the past several decades. This method efficiently screens candidate drugs inhibiting…

Quantitative Methods · Quantitative Biology 2022-11-22 Fan Hu , Dongqi Wang , Huazhen Huang , Yishen Hu , Peng Yin

The current pandemic has highlighted the need for methodologies that can quickly and reliably prioritize clinically approved compounds for their potential effectiveness for SARS-CoV-2 infections. In the past decade, network medicine has…

The deadly coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has gone out of control globally. Despite much effort by scientists, medical experts, and society in general, the…

Biomolecules · Quantitative Biology 2021-02-02 Kaifu Gao , Rui Wang , Jiahui Chen , Limei Cheng , Jaclyn Frishcosy , Yuta Huzumi , Yuchi Qiu , Tom Schluckbier , Guo-Wei Wei

Coronavirus Disease 2019 (COVID-19) has been creating a worldwide pandemic situation. Repurposing drugs, already shown to be free of harmful side effects, for the treatment of COVID-19 patients is an important option in launching novel…

Molecular Networks · Quantitative Biology 2020-07-07 Sumanta Ray , Snehalika Lall , Anirban Mukhopadhyay , Sanghamitra Bandyopadhyay , Alexander Schönhuth

SARS-CoV-2 is a severe respiratory infection that infects humans. Its outburst entitled it as a pandemic emergence. To get a grip on this, outbreak specific preventive and therapeutic interventions are urgently needed. It must be said that,…

Quantitative Methods · Quantitative Biology 2020-05-07 Giulia Russo , Marzio Pennisi , Marco Viceconti , Francesco Pappalardo

In the present study, we have described how by using molecular docking and molecular dynamic (MD) simulation studies the combination drug of ivermectin and doxycycline can be used as a potential inhibitor for SARS-CoV-2 virus. In lieu of…

Biological Physics · Physics 2020-12-02 Meenakshi Rana , Pooja , Papia Chowdhury

Currently, there is no effective antiviral drugs nor vaccine for coronavirus disease 2019 (COVID-19) caused by acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Due to its high conservativeness and low similarity with human genes,…

Biomolecules · Quantitative Biology 2020-05-29 Duc D Nguyen , Kaifu Gao , Jiahui Chen , Rui Wang , Guo-Wei Wei

The novel coronavirus (SARS-CoV-2) has led to a pandemic. The current testing regime based on Reverse Transcription-Polymerase Chain Reaction for SARS-CoV-2 has been unable to keep up with testing demands, and also suffers from a relatively…

Researchers worldwide are seeking to repurpose existing drugs or discover new drugs to counter the disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). A promising source of candidates for such studies is…

Computation and Language · Computer Science 2021-01-13 Zhi Hong , J. Gregory Pauloski , Logan Ward , Kyle Chard , Ben Blaiszik , Ian Foster

SARS-CoV-2 coronavirus infection is mediated by the binding of its spike protein to the angiotensin-converting enzyme 2 (ACE2), which plays a pivotal role in the renin-angiotensin system (RAS). The study of RAS dysregulation due to…

Molecular Networks · Quantitative Biology 2020-08-04 Fabrizio Pucci , Philippe Bogaerts , Marianne Rooman

Given the severity of the SARS-CoV-2 pandemic, a major challenge is to rapidly repurpose existing approved drugs for clinical interventions. While a number of data-driven and experimental approaches have been suggested in the context of…

Since the epidemic began in November 2019, no viable medicine against SARS-CoV-2 has been discovered. The typical medication discovery strategy requires several years of rigorous research and development as well as a significant financial…

Biomolecules · Quantitative Biology 2021-06-11 Estari Mamidalaa , Rakesh Davella , Swapna Gurrapu , Munipally Praveen Kumar , Abhiav

For fast development of COVID-19, it is only feasible to use drugs (off label use) or approved natural products that are already registered or been assessed for safety in previous human trials. These agents can be quickly assessed in…

Biomolecules · Quantitative Biology 2020-12-01 Sakshi Piplani , Puneet Singh , David A. Winkler , Nikolai Petrovsky

The SARS-CoV2 virus has caused a lot of tribulation to the human population. Predictive modeling that can accurately determine whether a person is infected with COVID-19 is imperative. The study proposes a novel approach that utilizes deep…

Image and Video Processing · Electrical Eng. & Systems 2021-11-23 Jash Dalvi , Aziz Bohra

The Coronavirus Disease 2019 (COVID-19) pandemic has infected over 10 million people globally with a relatively high mortality rate. There are many therapeutics undergoing clinical trials, but there is no effective vaccine or therapy for…

Molecular Networks · Quantitative Biology 2020-07-01 Fuhai Li , Andrew P. Michelson , Randi Foraker , Ming Zhan , Philip R. O. Payne

With the huge spike in the COVID-19 cases across the globe and reverse transcriptase-polymerase chain reaction (RT-PCR) test remains a key component for rapid and accurate detection of severe acute respiratory syndrome coronavirus 2…

Machine Learning · Computer Science 2021-10-20 Satvik Tripathi

The 2019 novel coronavirus (SARS-CoV-2) pandemic has resulted in more than a million deaths, high morbidities, and economic distress worldwide. There is an urgent need to identify medications that would treat and prevent novel diseases like…

Machine Learning · Computer Science 2020-12-04 Siddhant Doshi , Sundeep Prabhakar Chepuri

Early detection of COVID-19 is an ongoing area of research that can help with triage, monitoring and general health assessment of potential patients and may reduce operational strain on hospitals that cope with the coronavirus pandemic.…

Machine Learning · Computer Science 2022-01-11 Omid Rohanian , Samaneh Kouchaki , Andrew Soltan , Jenny Yang , Morteza Rohanian , Yang Yang , David Clifton