English
Related papers

Related papers: Drug Repurposing For SARS-COV-2 Using Molecular Do…

200 papers

The novel coronavirus disease, named COVID-19, emerged in China in December 2019, and has rapidly spread around the world. It is clearly urgent to fight COVID-19 at global scale. The development of methods for identifying drug uses based on…

Quantitative Methods · Quantitative Biology 2021-10-06 Lu Han , G. C. Shan , B. F. Chu , H. Y. Wang , Z. J. Wang , S. Q. Gao , W. X. Zhou

The global pandemic due to emergence of COVID 19 has created the unrivaled public health crisis. It has huge morbidity rate never comprehended in the recent decades. Researchers have made many efforts to find the optimal solution of this…

Quantitative Methods · Quantitative Biology 2024-09-26 Imra Aqeel

SARS-CoV-2 usually evolves at a relatively constant rate over time. Occasionally, however, lineages arise with higher-than-expected numbers of mutations given the date of sampling. Such lineages can arise for a variety of reasons, including…

Populations and Evolution · Quantitative Biology 2024-11-14 Erin E. Gill , Sheri Harari , Aijing Feng , Fiona S. L. Brinkman , Sarah Otto

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…

The COVID-19 pandemic has led to unprecedented efforts to identify drugs that can reduce its associated morbidity/mortality rate. Computational chemistry approaches hold the potential for triaging potential candidates far more quickly than…

Chemical Physics · Physics 2021-08-18 Yuhang Wang , Sruthi Murlidaran , David A. Pearlman

The SARS-CoV-2 pandemic has created a global race for a cure. One approach focuses on designing a novel variant of the human angiotensin-converting enzyme 2 (ACE2) that binds more tightly to the SARS-CoV-2 spike protein and diverts it from…

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

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

In recent decades, traditional drug research and development have been facing challenges such as high cost, long timelines, and high risks. To address these issues, many computational approaches have been suggested for predicting the…

Quantitative Methods · Quantitative Biology 2023-09-13 Chunyan Ao , Zhichao Xiao , Lixin Guan , Liang Yu

SARS-CoV-2, like any other virus, continues to mutate as it spreads, according to an evolutionary process. Unlike any other virus, the number of currently available sequences of SARS-CoV-2 in public databases such as GISAID is already…

Populations and Evolution · Quantitative Biology 2021-10-13 Sarwan Ali , Tamkanat-E-Ali , Muhammad Asad Khan , Imdadullah Khan , Murray Patterson

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…

Drug promiscuity and polypharmacology are much discussed topics in pharmaceutical research. Drug repositioning applies established drugs to new disease indications with increasing success. As polypharmacology, defined a drug's ability to…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-05-16 Antonios Makris

COVID-19 has affected the world tremendously. It is critical that biological experiments and clinical designs are informed by computational approaches for time- and cost-effective solutions. Comparative analyses particularly can play a key…

Biomolecules · Quantitative Biology 2020-04-10 Goksel Misirli

In the drug repurposing approach, the chemically diverse and potentially safe molecules can be explored as therapeutic potential out of those originally targeted indications. However, the intellectual property rights, and competitive…

Biomolecules · Quantitative Biology 2021-03-19 Surendra Kumar , Cheongyun Jang , Lalita Subedi , Sun Yeou Kim , Mi-hyun Kim

SARS-CoV-2 is an upper respiratory system RNA virus that has caused over 3 million deaths and infecting over 150 million worldwide as of May 2021. With thousands of strains sequenced to date, SARS-CoV-2 mutations pose significant challenges…

Quantitative Methods · Quantitative Biology 2021-11-15 Yanyi Ding , Zhiyi Kuang , Yuxin Pei , Jeff Tan , Ziyu Zhang , Joseph Konan

Background: Identifying new indications for approved drugs is a complex and time-consuming process that requires extensive knowledge of pharmacology, clinical data, and advanced computational methods. Recently, deep learning (DL) methods…

Machine Learning · Computer Science 2025-11-13 Shuting Jin , Yi Jiang , Yimin Liu , Tengfei Ma , Dongsheng Cao , Leyi Wei , Xiangrong Liu , Xiangxiang Zeng

Objective: To discover candidate drugs to repurpose for COVID-19 using literature-derived knowledge and knowledge graph completion methods. Methods: We propose a novel, integrative, and neural network-based literature-based discovery (LBD)…

Computation and Language · Computer Science 2021-02-10 Rui Zhang , Dimitar Hristovski , Dalton Schutte , Andrej Kastrin , Marcelo Fiszman , Halil Kilicoglu

Repurposing existing drugs to treat new diseases is a cost-effective alternative to de novo drug development, but there are millions of potential drug-disease combinations to be considered with only a small fraction being viable. In silico…

Quantitative Methods · Quantitative Biology 2025-10-24 Austin Polanco , M. E. J. Newman

Drug development is a very costly and lengthy process, while repositioned or repurposed drugs could be brought into clinical practice within a shorter time-frame and at a much reduced cost. The past decade has observed a massive growth in…

Genomics · Quantitative Biology 2019-11-14 Alexandria Lau , Hon-Cheong So

Despite of the fast development of highly effective vaccines to control the current COVID$-$19 pandemic, the unequal distribution and availability of these vaccines worldwide and the number of people infected in the world lead to the…