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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…

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

Currently, the number of patients with COVID-19 has significantly increased. Thus, there is an urgent need for developing treatments for COVID-19. Drug repurposing, which is the process of reusing already-approved drugs for new medical…

Quantitative Methods · Quantitative Biology 2020-08-13 Yonghyun Nam , Jae-Seung Yun , Seung Mi Lee , Ji Won Park , Ziqi Chen , Brian Lee , Anurag Verma , Xia Ning , Li Shen , Dokyoon Kim

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…

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

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

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…

Virtual screening of phytochemicals was performed through molecular docking, simulation, in silico ADMET and drug-likeness prediction to identify the potential hits that can inhibit the effects of SARS-CoV-2. Considering the published…

Biomolecules · Quantitative Biology 2020-07-30 Seshu Vardhan , Suban K Sahoo

We report the results of our study of approved drugs as potential treatments for COVID 19, based on the application of various bioinformatics predictive methods. The drugs studied include chloroquine, ivermectin, remdesivir, sofosbuvir,…

Biomolecules · Quantitative Biology 2020-08-11 Ognjen Perišić

SARS-CoV2, which causes coronavirus disease (COVID-19) is continuing to spread globally and has become a pandemic. People have lost their lives due to the virus and the lack of counter measures in place. Given the increasing caseload and…

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…

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

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 Corona Virus Disease 2019 (COVID-19) belongs to human coronaviruses (HCoVs), which spreads rapidly around the world. Compared with new drug development, drug repurposing may be the best shortcut for treating COVID-19. Therefore, we…

Machine Learning · Computer Science 2021-07-21 Shuting Jin , Xiangxiang Zeng , Wei Huang , Feng Xia , Changzhi Jiang , Xiangrong Liu , Shaoliang Peng

Drug development is time-consuming and expensive. Repurposing existing drugs for new therapies is an attractive solution that accelerates drug development at reduced experimental costs, specifically for Coronavirus Disease 2019 (COVID-19),…

Biomolecules · Quantitative Biology 2022-02-11 Xiaoqin Pan , Xuan Lin , Dongsheng Cao , Xiangxiang Zeng , Philip S. Yu , Lifang He , Ruth Nussinov , Feixiong Cheng

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

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…

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

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…

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