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Biological and Medicinal Chemistry

Working Paper

The Natural Way Forward: Molecular Dynamics Simulation Analysis of Phytochemicals from Indian Medicinal Plants as Potential Inhibitors of SARS-CoV-2 Targets

Pratap Kumar Parida, Dipak Paul, Debamitra Chakravorty

Version 1 posted 01 July 2020

881

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Biological and Medicinal Chemistry

Working Paper

Potential Binding Efficiency of Antiviral Drug Lopinavir Targeted to the Catalytic Dyad, His41 - Cys145 of SARS CoV -2 Main Protease

Muthu Raj S, Manohar M, Mohan M, Ganesh P, Marimuthu K

Version 1 posted 11 June 2020

481

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Biological and Medicinal Chemistry

Working Paper

Cathepsin-Targeting SARS-CoV-2 Inhibitors: Design, Synthesis, and Biological Activity

Philipp Flury, Julian Breidenbach, Nadine Krüger, Rabea Voget, Laura Schäkel, Yaoyao Si, Vesa Krasniqi, Sara Calistri, Matthias Olfert, Katharina Sylvester, Cheila Rocha, Raphael Ditzinger, Alexander Rasch, Stefan Pöhlmann, Thales Kronenberger, Antti Poso, Katharina Rox, Stefan A. Laufer, Christa E. Müller, Michael Gütschow, Thanigaimalai Pillaiyar

Version 1 posted 07 November 2023

324

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Biological and Medicinal Chemistry

Working Paper

Main Proteases of Key RNA Viruses, Including Coronavirus, Recognize P2 Residues in the Polyproline Type II Conformation: Harnessing Proline's Unique Conformation for Protease Inhibitors

Pathum Weerawarna

Version 2 posted 20 October 2023

279

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Studies on Computational Molecular Interaction Between SARS-CoV-2 Main Protease and Natural Products

Manish Manish

Version 2 posted 31 March 2020

2,212

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Biological and Medicinal Chemistry

Working Paper

In Silico Exploration of Molecular Mechanism and Potency Ranking of Clinically Oriented Drugs for Inhibiting SARS-CoV-2’s Main Protease

Tien Huynh, haoran wang, Binquan Luan

Version 1 posted 31 March 2020

1,416

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Theoretical and Computational Chemistry

Working Paper

Pharmacophore Analyses of SARS-CoV-2 Active Main Protease Inhibitors Using Pharmacophore Query and Docking Study

Muhammet Karaman

Version 1 posted 09 June 2020

720

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Theoretical and Computational Chemistry

Working Paper

Docking Studies of Usnic Acid and Sodium Usnate on SARS CoV-2 Main Protease and Spike Protein RBD

Roopa Guthappa

Version 1 posted 13 July 2020

742

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Biological and Medicinal Chemistry

Working Paper

MOLECULAR DOCKING STUDY TO IDENTIFY POTENTIAL INHIBITOR OF COVID-19 MAIN PROTEASE ENZYME: AN IN-SILICO APPROACH

Anurag Agrawal, Nem Kumar Jain, Neeraj Kumar, Giriraj T Kulkarni

Version 1 posted 23 April 2020

2,453

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5

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Biological and Medicinal Chemistry

Working Paper

Design, Synthesis, and Unprecedented Interactions of Covalent Dipeptide-Based Inhibitors of SARS-CoV-2 Main Protease and its Variants Displaying Potent Antiviral Activity

Thanigaimalai Pillaiyar, Philipp Flury, Nadine Krüger, Katharina Sylvester, Julian Breidenbach, Ghazl Al Hamwi, Jingxin Qiao, Yan Chen, Cheila Rocha, Mateus Serafim, Elany Barbosa da Silva, Stefan Pohlmann, Antti Poso, Thales Kronenberger, Katharina Rox, Anthony O’Donoghue, Shengyong Yang, Sträter Norbert, Michael Gütschow, Stefan A. Laufer, Christa E. Müller

Version 1 posted 18 November 2024

159

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32 results in Main Protease, MPro in Keywords: Main Protease, MPro

The Natural Way Forward: Molecular Dynamics Simulation Analysis of Phytochemicals from Indian Medicinal Plants as Potential Inhibitors of SARS-CoV-2 Targets

Potential Binding Efficiency of Antiviral Drug Lopinavir Targeted to the Catalytic Dyad, His41 - Cys145 of SARS CoV -2 Main Protease

Cathepsin-Targeting SARS-CoV-2 Inhibitors: Design, Synthesis, and Biological Activity

Main Proteases of Key RNA Viruses, Including Coronavirus, Recognize P2 Residues in the Polyproline Type II Conformation: Harnessing Proline's Unique Conformation for Protease Inhibitors

Studies on Computational Molecular Interaction Between SARS-CoV-2 Main Protease and Natural Products

In Silico Exploration of Molecular Mechanism and Potency Ranking of Clinically Oriented Drugs for Inhibiting SARS-CoV-2’s Main Protease

Pharmacophore Analyses of SARS-CoV-2 Active Main Protease Inhibitors Using Pharmacophore Query and Docking Study

Docking Studies of Usnic Acid and Sodium Usnate on SARS CoV-2 Main Protease and Spike Protein RBD

MOLECULAR DOCKING STUDY TO IDENTIFY POTENTIAL INHIBITOR OF COVID-19 MAIN PROTEASE ENZYME: AN IN-SILICO APPROACH

Design, Synthesis, and Unprecedented Interactions of Covalent Dipeptide-Based Inhibitors of SARS-CoV-2 Main Protease and its Variants Displaying Potent Antiviral Activity

32 results in Keywords: Main Protease, MPro