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Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the strain of coronavirus that causes coronavirus disease 2019 (COVID-19), the respiratory illness responsible for the COVID-19 pandemic. Currently there is no known vaccine or…

Biomolecules · Quantitative Biology 2020-06-29 Emilio Angelina , Sebastian Andujar , Oscar Parravicini , Daniel Enriz , Nelida Peruchena

The coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has infected near 5 million people and led to over 0.3 million deaths. Currently, there is no specific anti-SARS-CoV-2…

Biomolecules · Quantitative Biology 2020-05-21 Kaifu Gao , Duc Duy Nguyen , Jiahui Chen , Rui Wang , Guo-Wei Wei

Due to SARS-CoV-2 (Severe Acute Respiratory Syndrome Coronavirus 2) being a novel virus, there are currently no known effective antiviral drugs capable of slowing its progress. To accelerate the discovery of potential drug candidates,…

Biomolecules · Quantitative Biology 2020-09-29 Lokesh Agrawal , Thanasis Poullikkas , Scott Eisenhower , Carlo Monsanto , Ranjith Kumar Bakku

COVID-19 is a devastating respiratory and inflammatory illness caused by a new coronavirus that is rapidly spreading throughout the human population. Over the past 6 months, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the…

The outbreak of COVID-19 caused millions of deaths worldwide, and the number of total infections is still rising. It is necessary to identify some potentially effective drugs that can be used to prevent the development of severe symptoms or…

Molecular Networks · Quantitative Biology 2022-09-07 Fan Hu , Jiaxin Jiang , Peng Yin

Computational drug design based on artificial intelligence is an emerging research area. At the time of writing this paper, the world suffers from an outbreak of the coronavirus SARS-CoV-2. A promising way to stop the virus replication is…

Neural and Evolutionary Computing · Computer Science 2020-09-11 Tim Cofala , Lars Elend , Philip Mirbach , Jonas Prellberg , Thomas Teusch , Oliver Kramer

Severe acute respiratory syndrome coronavirus two (SARS-CoV-2), the virus responsible for the coronavirus disease 2019 (COVID-19) pandemic, represents an unprecedented global health challenge. Consequently, a large amount of research into…

Tremendous effort has been given to the development of diagnostic tests, preventive vaccines, and therapeutic medicines for coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Much of…

Genomics · Quantitative Biology 2020-04-30 Rui Wang , Yuta Hozumi , Changchuan Yin , Guo-Wei Wei

There remains an urgent need to identify existing drugs that might be suitable for treating patients suffering from COVID-19 infection. Drugs rarely act at a single molecular target, with off target effects often being responsible for…

Biomolecules · Quantitative Biology 2020-09-03 Sakshi Piplani , Puneet Singh , Nikolai Petrovsky , David A. Winkler

Global coronavirus disease pandemic (COVID-19) caused by newly identified SARS- CoV-2 coronavirus continues to claim the lives of thousands of people worldwide. The unavailability of specific medications to treat COVID-19 has led to drug…

Quantitative Methods · Quantitative Biology 2020-06-12 Romeo Cozac , Nazim Medzhidov , Shinya Yuki

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

The COVID-19 pandemic triggered by SARS-CoV-2 is a worldwide health disaster. Main protease is an attractive drug target among coronaviruses, due to its vital role in processing the polyproteins that are translated from the viral RNA. There…

Biomolecules · Quantitative Biology 2020-04-29 Estari Mamidala , Rakesh Davella , Swapna Gurrapu , Pujala Shivakrishna

Under the global health emergency caused by coronavirus disease 2019 (COVID-19), efficient and specific therapies are urgently needed. Compared with traditional small-molecular drugs, antibody therapies are relatively easy to develop and as…

Biomolecules · Quantitative Biology 2020-06-19 Jiahui Chen , Kaifu Gao , Rui Wang , Duc Duy Nguyen , Guo-Wei Wei

Researchers across the globe are seeking to rapidly repurpose existing drugs or discover new drugs to counter the the novel coronavirus disease (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). One promising…

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

The recent global pandemic of Coronavirus Disease 2019 (COVID-19) caused by the new coronavirus SARS-CoV-2 presents an urgent need for new therapeutic candidates. Many efforts have been devoted to screening existing drug libraries with the…

Quantitative Methods · Quantitative Biology 2020-07-27 Hu Zhu , Catherine Z. Chen , Srilatha Sakamuru , Anton Simeonov , Mathew D. Hall , Menghang Xia , Wei Zheng , Ruili Huang

Drug repurposing is an unconventional approach that is used to investigate new therapeutic aids of existing and shelved drugs. Recent advancement in technologies and the availability of the data of genomics, proteomics, transcriptomics,…

Quantitative Methods · Quantitative Biology 2022-07-27 Imra Aqeel , Abdul Majid , Muhammad Ismail , Hina Bashir

Coronaviruses have recently caused world-wide severe outbreaks: SARS (Severe Acute Respiratory Syndrome) in 2002 and MERS (Middle-East Respiratory Syndrome) in 2012. At the end of 2019, a new coronavirus outbreak appeared in Wuhan (China)…

Genomics · Quantitative Biology 2020-04-03 Miguel Ramos Pascual

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

A molecule of dimension 125nm has caused around 479 Million human infections (80M for the USA) & 6.1 Million human deaths (977,000 for the USA) worldwide and slashed the global economy by US$ 8.5 Trillion over two years. The only other…

Biomolecules · Quantitative Biology 2022-06-29 Jatin Kashyap , Dibakar Datta
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