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Theoretical and Computational Chemistry

Working Paper

Comparison of Clinically Approved Molecules on SARS-CoV-2 Drug Target Proteins: A Molecular Docking Study

Hasan Cubuk, Mehmet Ozbil

Version 2 posted 01 July 2020

1,702

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Theoretical and Computational Chemistry

Working Paper

COVID-19 Knowledge Extractor (COKE): A Tool and a Web Portal to Extract Drug - Target Protein Associations from the CORD-19 Corpus of Scientific Publications on COVID-19

Daniel Korn, Vera Pervitsky, Tesia Bobrowski, Vinicius Alves, Charles Schmitt, Cristopher Bizon, Nancy Baker, Rada Chirkova, Artem Cherkasov, Eugene Muratov, Alexander Tropsha

Version 1 posted 26 November 2020

728

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Organic Chemistry

Working Paper

Progress Towards a Large-Scale Synthesis of Molnupiravir (MK-4482, EIDD-2801) from Cytidine

Grace P. Ahlqvist, Catherine P. McGeough, Chris Senanayake, Joseph D. Armstrong, Ajay Yadaw, Sarabindu Roy, Saeed Ahmad, David R. Snead, Tim Jamison

Version 1 posted 16 February 2021

1,708

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Biological and Medicinal Chemistry

Working Paper

Structural Similarity of SARS-CoV2 Mpro and HCV NS3/4A Proteases Suggests New Approaches for Identifying Existing Drugs Useful as COVID-19 Therapeutics

Khushboo Bafna, Robert M. Krug, Gaetano Montelione

Version 1 posted 21 April 2020

2,759

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10

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Biological and Medicinal Chemistry

Working Paper

A Microscopic Description of SARS-CoV-2 Main Protease Inhibition with Michael Acceptors. Strategies for Improving Inhibitors Design

Carlos A. Ramos-Guzmán, J. Javier Ruiz-Pernía, Iñaki Tuñón

Version 1 posted 31 August 2020

582

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2

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Theoretical and Computational Chemistry

Working Paper

Identification of Potential Drug Targets and Prediction of the Potential Impact of High Risk Non Synonymous Single Nucleotide Polymorphism in SARS-CoV-2 3C like Proteinase (3CLpro): A Computational Approach

Sahar Elbager, abdelrahman hamza, Afra M. Al Bkrye, Asia M. Alrashied, Entisar N. M. Ali, Hadeel A. Mohamed, Hazem A. Abubaker, Israa A. Mohamed, Manal A. H. Goda, Mohammed Y. Basher, Naglla F.A. Gabir, Safinaz I. Khalil

Version 1 posted 05 May 2020

913

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Biological and Medicinal Chemistry

Working Paper

Whole Genome Sequence Analysis and Homology Modelling of a 3C Like Peptidase and a Non-Structural Protein 3 of the SARS-CoV-2 Shows Protein Ligand Interaction with an Aza-Peptide and a Noncovalent Lead Inhibitor with Possible Antiviral Properties

Arun Shanker, Divya Bhanu, Anjani Alluri, Samriddhi Gupta

Version 9 posted 27 April 2020

11,409

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Theoretical and Computational Chemistry

Working Paper

Discovery of Potent Covid-19 Main Protease Inhibitors Using Machine Learning Based Virtual Screening Strategy

Muthu Kumar T, Rohini K, Nivya James, Shanthi V, Ramanathan Karuppasamy

Version 1 posted 10 April 2020

1,277

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Theoretical and Computational Chemistry

Working Paper

Covalent and Non-Covalent Binding Free Energy Calculations for Peptidomimetic Inhibitors of SARS-CoV-2 Main Protease

Ernest Awoonor-Williams, Abd Al-Aziz A. Abu-Saleh

Version 1 posted 26 November 2020

741

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Biological and Medicinal Chemistry

Working Paper

In Silico Study on Spice-Derived Antiviral Phytochemicals Against SARS-CoV-2 TMPRSS2 Target

Pradeep Kumar Yadav, Amit Jaiswal, Rajiv Kumar Singh

Version 1 posted 04 August 2020

833

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247 results in Covid-19 in Keywords: Covid-19

Comparison of Clinically Approved Molecules on SARS-CoV-2 Drug Target Proteins: A Molecular Docking Study

COVID-19 Knowledge Extractor (COKE): A Tool and a Web Portal to Extract Drug - Target Protein Associations from the CORD-19 Corpus of Scientific Publications on COVID-19

Progress Towards a Large-Scale Synthesis of Molnupiravir (MK-4482, EIDD-2801) from Cytidine

Structural Similarity of SARS-CoV2 Mpro and HCV NS3/4A Proteases Suggests New Approaches for Identifying Existing Drugs Useful as COVID-19 Therapeutics

A Microscopic Description of SARS-CoV-2 Main Protease Inhibition with Michael Acceptors. Strategies for Improving Inhibitors Design

Identification of Potential Drug Targets and Prediction of the Potential Impact of High Risk Non Synonymous Single Nucleotide Polymorphism in SARS-CoV-2 3C like Proteinase (3CLpro): A Computational Approach

Whole Genome Sequence Analysis and Homology Modelling of a 3C Like Peptidase and a Non-Structural Protein 3 of the SARS-CoV-2 Shows Protein Ligand Interaction with an Aza-Peptide and a Noncovalent Lead Inhibitor with Possible Antiviral Properties

Discovery of Potent Covid-19 Main Protease Inhibitors Using Machine Learning Based Virtual Screening Strategy

Covalent and Non-Covalent Binding Free Energy Calculations for Peptidomimetic Inhibitors of SARS-CoV-2 Main Protease

In Silico Study on Spice-Derived Antiviral Phytochemicals Against SARS-CoV-2 TMPRSS2 Target

247 results in Keywords: Covid-19