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

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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…

A new coronavirus identified as SARS-CoV-2 virus has brought the world to a state of crisis, causing a major pandemic, claiming more than 433,000 lives and instigating major financial damage to the global economy. Despite current efforts,…

Biomolecules · Quantitative Biology 2020-06-18 Mohsen Chitsaz

The integration of machine learning methods into bioinformatics provides particular benefits in identifying how therapeutics effective in one context might have utility in an unknown clinical context or against a novel pathology. We aim to…

Machine Learning · Computer Science 2020-06-29 Semih Cantürk , Aman Singh , Patrick St-Amant , Jason Behrmann

The virus SARS-CoV-2 has created a situation of global emergency all over the world from the last few months. We are witnessing a helpless situation due to COVID-19 as no vaccine or drug is effective against the disease. In the present…

Biological Physics · Physics 2020-12-02 Pooja , Papia Chowdhury

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

Coronavirus Disease-2019 (COVID-19) is an infectious disease caused by the SARS-CoV-2 virus. It was first identified in Wuhan, China, and has since spread causing a global pandemic. Various studies have been performed to understand the…

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

COVID-19 has fast-paced drug re-positioning for its treatment. This work builds computational models for the same. The aim is to assist clinicians with a tool for selecting prospective antiviral treatments. Since the virus is known to…

Quantitative Methods · Quantitative Biology 2020-08-03 Aanchal Mongia , Sanjay Kr. Saha , Emilie Chouzenoux , Angshul Majumdar

For fast development of COVID-19, it is only feasible to use drugs (off label use) or approved natural products that are already registered or been assessed for safety in previous human trials. These agents can be quickly assessed in…

Biomolecules · Quantitative Biology 2020-12-01 Sakshi Piplani , Puneet Singh , David A. Winkler , Nikolai Petrovsky

Parkinson's disease is a progressive and slowly developing neurodegenerative disease, characterized by dopaminergic neuron loss in the substantia nigra region of the brain. Despite extensive research by scientists, there is not yet a cure…

Quantitative Methods · Quantitative Biology 2024-08-31 Pratham Kankariya , Rachita Rode , Kevin Mudaliar , Pranali Hatode

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

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…

SARS-COV-2 is a positive single-strand RNA-based macromolecule that has caused the death of more than 6.3 million people since June 2022. Moreover, by disturbing global supply chains through lockdown, the virus has indirectly caused…

Biomolecules · Quantitative Biology 2022-11-01 Imra Aqeel , Abdul Majid

Drug repurposing (or repositioning) is the process of finding new therapeutic uses for drugs already approved by drug regulatory authorities (e.g., the Food and Drug Administration (FDA) and Therapeutic Goods Administration (TGA)) for other…

Artificial Intelligence · Computer Science 2023-06-27 Chaarvi Bansal , Rohitash Chandra , Vinti Agarwal , P. R. Deepa

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 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

To shorten the time required to find effective new drugs, like antivirals, a key parameter to consider is membrane permeability, as a compound intended for an intracellular target with poor permeability will have low efficacy. Here, we…

Biomolecules · Quantitative Biology 2020-07-30 Changjiang Liu , Paolo Elvati , Angela Violi

Drug repurposing is an emerging approach for drug discovery involving the reassignment of existing drugs for novel purposes. An alternative to the traditional de novo process of drug development, repurposed drugs are faster, cheaper, and…

Biomolecules · Quantitative Biology 2023-09-26 Srilekha Mamidala

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

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