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Automated In Silico Identification of Drug Candidates for Coronavirus Through a Novel Programmatic Tool and Extensive Computational (MD, DFT) Studies of Select Drug Candidates

Ben Geoffrey A S, Rafal Madaj, Akhil Sanker, Mario Sergio Valdés Tresanco, Host Antony Davidd, Gitanjali Roy, Rinnu Sarah Saji, Abdulbasit Haliru Yakubu, Beutline Malgija

Version 3 posted 17 August 2020

1,787

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2

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Biological and Medicinal Chemistry

Working Paper

Inhibitory Effect of Eight Secondary Metabolites from Conventional Medicinal Plants on COVID_19 Virus Protease by Molecular Docking Analysis

Narges Mohammadi, Neda Shaghaghi

Version 1 posted 17 March 2020

3,753

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9

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Biological and Medicinal Chemistry

Working Paper

New insights in the mechanism of the SARS-CoV-2 Mpro inhibition by benzisoselenazolones and diselenides

Luca Sancineto, Francesca Mangiavacchi, Agnieszka Dąbrowska, Agata Pacuła, Magdalena Obieziurska-Fabisiak, Veronica Ceccucci, Cecilia Scimmi, Juan Kong, Yao Zhao, Gianluca Ciancaleoni, Vanessa Nascimento, Bruno Rizzuti, Anna Kula-Pacurar, Haitao Yang, Jacek Ścianowski, Ying Lei, Krzysztof Pyrc, Claudio Santi

Version 2 posted 12 March 2024

1,048

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Biological and Medicinal Chemistry

Working Paper

Gymnema Sylvestre A- Potential Inhibitor of COVID-19 Main Protease by MD Simulation Study

Senthil Kumar Subramani, Yash Gupta, Manish Manish, GBKS Prasad

Version 1 posted 21 May 2020

999

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4

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Biological and Medicinal Chemistry

Working Paper

Interaction of drugs candidates with various SARS-CoV-2 receptors: an in silico study to combat COVID-19

Romulo O. Barros, Fabio L. C. C. Junior, Wildrimak S. Pereira, Neiva M. N. Oliveira, Ricardo Ramos

Version 4 posted 29 April 2020

3,382

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1

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Catalysis

Working Paper

Engineering a Cytidine Aminotransferase for Biocatalytic Production of the Antiviral Molnupiravir

Ashleigh Burke, William Birmingham, Ying Zhuo, Bruna Zuculoto da Costa, Rebecca Crawshaw, Thomas Thorpe, Ian Rowles, James Finnigan, Simon J. Charnock, Sarah Lovelock, Nicholas Turner, Anthony Green, Carl Young

Version 3 posted 21 October 2021

2,974

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1

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Biological and Medicinal Chemistry

Working Paper

Double Lock the COVID 19: Inhibit SARS COV 2 Replication and Suppress Inflammation Cytokine Level by the Golden Compounds

Zhesheng He, Chunyu Zhang, Zhongying Du, Wencong Zhao, Wenchao Niu, Yucong Gao, Yuhui Dong, Jiadong Fan, Bo he, Peng Cao, Huaidong Jiang, Gong Yong, Xueyun Gao

Version 1 posted 29 June 2020

523

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Theoretical and Computational Chemistry

Working Paper

Identification of Potential Inhibitors of SARS-CoV-2 Main Protease via a Rapid In-Silico Drug Repurposing Approach

Cesar Mendoza-Martinez, Alejandro Rodriguez-Lezama

Version 1 posted 09 April 2020

1,173

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3

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Earth, Space, and Environmental Chemistry

Working Paper

Reduction in Water Pollution in Yamuna River Due to Lockdown Under COVID-19 Pandemic

Mohammad Arif, Rajesh Kumar, shagufta Parveen

Version 1 posted 18 June 2020

3,590

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16

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Physical Chemistry

Working Paper

Phospholipids dock SARS-CoV-2 spike protein via hydrophobic interactions: a minimal in-silico study of lecithin nasal spray therapy

Muhammad Nawaz Qaisrani, Jawad Ur Rehman, Roman Belousov, Elham Moharramzadeh Goliaei, Ivan Girotto, Ricardo Franklin, Oriol Güell, Ali Hassanali, Edgar Roldan

Version 3 posted 19 April 2021

1,357

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Refine Search

26 results in COVID_19 in Keywords: COVID_19

Automated In Silico Identification of Drug Candidates for Coronavirus Through a Novel Programmatic Tool and Extensive Computational (MD, DFT) Studies of Select Drug Candidates

Inhibitory Effect of Eight Secondary Metabolites from Conventional Medicinal Plants on COVID_19 Virus Protease by Molecular Docking Analysis

New insights in the mechanism of the SARS-CoV-2 Mpro inhibition by benzisoselenazolones and diselenides

Gymnema Sylvestre A- Potential Inhibitor of COVID-19 Main Protease by MD Simulation Study

Interaction of drugs candidates with various SARS-CoV-2 receptors: an in silico study to combat COVID-19

Engineering a Cytidine Aminotransferase for Biocatalytic Production of the Antiviral Molnupiravir

Double Lock the COVID 19: Inhibit SARS COV 2 Replication and Suppress Inflammation Cytokine Level by the Golden Compounds

Identification of Potential Inhibitors of SARS-CoV-2 Main Protease via a Rapid In-Silico Drug Repurposing Approach

Reduction in Water Pollution in Yamuna River Due to Lockdown Under COVID-19 Pandemic

Phospholipids dock SARS-CoV-2 spike protein via hydrophobic interactions: a minimal in-silico study of lecithin nasal spray therapy

26 results in Keywords: COVID_19