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Novel coronavirus (COVID-19) outbreak, has raised a calamitous situation all over the world and has become one of the most acute and severe ailments in the past hundred years. The prevalence rate of COVID-19 is rapidly rising every day…

图像与视频处理 · 电气工程与系统科学 2022-09-09 Md. Milon Islam , Fakhri Karray , Reda Alhajj , Jia Zeng

Therapeutic antibody development has become an increasingly popular approach for drug development. To date, antibody therapeutics are largely developed using large scale experimental screens of antibody libraries containing hundreds of…

定量方法 · 定量生物学 2022-10-07 Lin Li , Esther Gupta , John Spaeth , Leslie Shing , Tristan Bepler , Rajmonda Sulo Caceres

We report a fast-track computationally-driven discovery of new SARS-CoV2 Main Protease (M$^{pro}$) inhibitors whose potency range from mM for initial non-covalent ligands to sub-$\mu$M for the final covalent compound (IC50=830 +/- 50 nM).…

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…

生物大分子 · 定量生物学 2020-04-29 Estari Mamidala , Rakesh Davella , Swapna Gurrapu , Pujala Shivakrishna

Severe acute respiratory disease SARS-CoV-2 has had a found impact on public health systems and healthcare emergency response especially with respect to making decisions on the most effective measures to be taken at any given time. As…

机器学习 · 计算机科学 2023-09-19 Charithea Stylianides , Kleanthis Malialis , Panayiotis Kolios

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…

生物大分子 · 定量生物学 2020-09-03 Sakshi Piplani , Puneet Singh , Nikolai Petrovsky , David A. Winkler

After emerging in China in late 2019, the novel Severe acute respiratory syndrome-like coronavirus 2 (SARS-CoV-2) spread worldwide and as of early 2021, continues to significantly impact most countries. Only a small number of coronaviruses…

COVID-19 is an infection caused by SARS-CoV-2 (Severe Acute Respiratory Syndrome coronavirus 2), which has caused a global outbreak. Current research efforts are focused on the understanding of the molecular mechanisms involved in…

The fast and untraceable virus mutations take lives of thousands of people before the immune system can produce the inhibitory antibody. Recent outbreak of novel coronavirus infected and killed thousands of people in the world. Rapid…

生物大分子 · 定量生物学 2020-03-20 Rishikesh Magar , Prakarsh Yadav , Amir Barati Farimani

Development of new drugs is an expensive and time-consuming process. Due to the world-wide SARS-CoV-2 outbreak, it is essential that new drugs for SARS-CoV-2 are developed as soon as possible. Drug repurposing techniques can reduce the time…

机器学习 · 计算机科学 2022-01-19 Shrimon Mukherjee , Madhusudan Ghosh , Partha Basuchowdhuri

A novel strain of coronavirus, namely, COVID-19 has been identified in Wuhan city of China in December 2019. There are no specific therapies available and investigations regarding the treatment of the COVID-19 are still lacking. This…

化学物理 · 物理学 2020-04-16 Ambrish Kumar Srivastava , Abhishek Kumar , Gargi Tiwari , Ratnesh Kumar , Neeraj Misra

To better understand the potential of drug repurposing in COVID-19, we analyzed control strategies over essential host factors for SARS-CoV-2 infection. We constructed comprehensive directed protein-protein interaction networks integrating…

The lack of recommended drugs or vaccines to deal with the COVID-19 is the main concern of this pandemic. The approved drugs for similar health problems, drugs under clinical trials, and molecules from medicinal plants extracts are…

定量方法 · 定量生物学 2020-07-30 Seshu Vardhan , Suban K Sahoo

A prompt severity assessment model of patients confirmed for having infectious diseases could enable efficient diagnosis while alleviating burden on the medical system. This study aims to develop a SARS-CoV-2 severity assessment model and…

机器学习 · 计算机科学 2022-02-18 Min Sue Park , Hyeontae Jo , Haeun Lee , Se Young Jung , Hyung Ju Hwang

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…

生物大分子 · 定量生物学 2022-06-29 Jatin Kashyap , Dibakar Datta

The present Health Crisis tests the response of modern science and medicine to finding treatment for a new COVID-19 disease. The presentation on the world stage of antivirals such as remdesivir, obeys to the continuous investigation of…

Emerging severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants have compromised existing vaccines and posed a grand challenge to coronavirus disease 2019 (COVID-19) prevention, control, and global economic recovery. For…

生物大分子 · 定量生物学 2022-04-21 Jiahui Chen , Guo-Wei Wei

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…

The black-box nature of machine learning models hinders the deployment of some high-accuracy models in medical diagnosis. It is risky to put one's life in the hands of models that medical researchers do not fully understand. However,…

The COVID-19 (coronavirus) is an ongoing pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The virus was first identified in mid-December 2019 in the Hubei province of Wuhan, China and by now has spread…

图像与视频处理 · 电气工程与系统科学 2022-01-26 Aditya Saxena , Shamsheer Pal Singh