English
Related papers

Related papers: Old Drugs for Newly Emerging Viral Disease, COVID-…

200 papers

With the fast development of COVID-19 into a global pandemic, scientists around the globe are desperately searching for effective antiviral therapeutic agents. Bridging systems biology and drug discovery, we propose a deep learning…

Quantitative Methods · Quantitative Biology 2020-11-24 Jannis Born , Matteo Manica , Joris Cadow , Greta Markert , Nil Adell Mill , Modestas Filipavicius , María Rodríguez Martínez

The steep climbing of victims caused by the new coronavirus disease 2019 (COVID-19) throughout the planet is sparking an unprecedented effort to identify effective therapeutic regimens to tackle the pandemic. The SARS-CoV-2 virus is known…

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

Coronavirus disease 2019 (COVID-19), caused by SARS-CoV-2, represents a major global pandemic of the 21st century, with long-term effects termed long COVID. This systematic review and network meta-analysis (NMA) evaluated pharmacological…

Other Quantitative Biology · Quantitative Biology 2026-01-21 Hailu Zhou , Fei Jiang , Zhigang Jiang

The virus SARS-COV-2 caused disease COVID-19 has been declared a pandemic by WHO. Currently, over 210 countries and territories have been affected. Careful, well-designed drugs and vaccine for the total elimination of this virus seem to be…

Populations and Evolution · Quantitative Biology 2020-10-07 Bishal Chhetri , D. K. K. Vamsi , Vijay M. Bhagat , Ananth V. S. , Bhanu Prakash , Roshan Mandale , Swapna Muthusamy , Carani B Sanjeevi

Presently, there are no approved drugs or vaccines to treat COVID-19 which has spread to over 200 countries and is responsible for over 3,65,000 deaths worldwide. Recent studies have shown that two human proteases, TMPRSS2 and cathepsin L,…

Biomolecules · Quantitative Biology 2020-09-02 R. P. Vivek-Ananth , Abhijit Rana , Nithin Rajan , Himansu S. Biswal , Areejit Samal

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…

The world has witnessed unprecedented human and economic loss from the COVID-19 disease, caused by the novel coronavirus SARS-CoV-2. Extensive research is being conducted across the globe to identify therapeutic agents against the…

Biomolecules · Quantitative Biology 2020-04-09 Rohit Batra , Henry Chan , Ganesh Kamath , Rampi Ramprasad , Mathew J. Cherukara , Subramanian Sankaranarayanan

The recent appearance of COVID-19 virus has created a global crisis due to unavailability of any vaccine or drug that can effectively and deterministically work against it. Naturally, different possibilities (including herbal medicines…

Biomolecules · Quantitative Biology 2020-08-07 Papia Chowdhury

Drug combinations play an important role in therapeutics due to its better efficacy and reduced toxicity. Recent approaches have applied machine learning to identify synergistic combinations for cancer, but they are not applicable to new…

Biomolecules · Quantitative Biology 2020-12-01 Wengong Jin , Regina Barzilay , Tommi Jaakkola

Antivirals are uniquely positioned to be deployed quickly during a new outbreak, especially when repurposed from approved drugs. Yet there are no FDA-approved antivirals for the majority of viral families with pandemic potential. Here we…

Biomolecules · Quantitative Biology 2026-05-07 Daniel C. Elton , Preston W. Estep

Understanding public discourse on emergency use of unproven therapeutics is crucial for monitoring safe use and combating misinformation. We developed a natural language processing-based pipeline to comprehend public perceptions of and…

Computers and Society · Computer Science 2024-01-23 Yining Hua , Hang Jiang , Shixu Lin , Jie Yang , Joseph M. Plasek , David W. Bates , Li Zhou

Here after performing docking and molecular dynamics of various small molecules derived as a secondary metabolite from fungi, we propose Flaviolin to act as potent inhibitor of 3-chymotrypsin (3C) like protease (3CLpro) of noval corona…

Biomolecules · Quantitative Biology 2020-04-09 Priyashi Rao , Arpit Shukla , Paritosh Parmar , Dweipayan Goswami

The COVID-19 crisis called for rapid reaction from all the fields of biomedical research. Traditional drug development involves time consuming pipelines that conflict with the urgence of identifying effective therapies during a health and…

Genomics · Quantitative Biology 2020-05-06 Francesco Napolitano , Gennaro Gambardella , Diego Carrella , Xin Gao , Diego di Bernardo

Coronavirus Disease 2019 (COVID-19) is a rapidly emerging respiratory disease caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Due to the rapid human-to-human transmission of SARS-CoV-2, many healthcare systems…

Machine Learning · Computer Science 2020-12-01 Patrick Schwab , August DuMont Schütte , Benedikt Dietz , Stefan Bauer

The COVID-19 pandemic has resulted in more than 14.5 million infections and 6,04,917 deaths in 212 countries over the last few months. Different drug intervention acting at multiple stages of pathogenesis of COVID-19 can substantially…

Populations and Evolution · Quantitative Biology 2023-09-01 Bhanu Prakash D , D. K. K. Vamsi , D. Bangaru Rajesh , Carani B Sanjeevi

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

Since the rise of the SARS-CoV-2 pandemic in the winter of 2019, the need for an affordable and efficient drug has not yet been met. Leveraging its unique, fast and precise binding free energy prediction technology, Aqemia screened and…

COVID-19 presents a great threat to public health worldwide and the infectious agent SARS-CoV-2 is currently the target of much research aiming at inhibition. The virus' main protease is a dimeric enzyme that has only recently begun to be…

Covid-19, a serious respiratory complications caused by SARS-CoV-2 has become one of the global threat to human healthcare system. The present study evaluated the possibility of plant originated approved 117 therapeutics against the main…