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Biological and Medicinal Chemistry

Working Paper

Naturally Occurring Anthraquinones as Potential Inhibitors of SARS-CoV-2 Main Protease: A Molecular Docking Study

Sourav Das, Atanu Singha Roy

Version 1 posted 07 May 2020

1,503

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2

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Theoretical and Computational Chemistry

Working Paper

Drug Repurposing and New Therapeutic Strategies for SARS-CoV-2 Disease Using a Novel Molecular Modeling-AI Hybrid Workflow

Scott Bembenek

Version 2 posted 16 June 2020

1,021

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Theoretical and Computational Chemistry

Working Paper

Impact of warhead modulations on the covalent inhibition of SARS-CoV-2 Mpro explored by QM/MM simulations

Sergio Marti, Kemel Arafet, Alessio Lodola, Adrian Mulholland, Katarzyna Swiderek, Vicent Moliner

Version 1 posted 11 August 2021

360

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Biological and Medicinal Chemistry

Working Paper

Expedited SARS-CoV-2 main protease inhibitor discovery through modular ‘direct-to-biology’ screening

Harry Wilders, George Biggs, Sam Rowe, Emma E. Cawood, Alan R. Rendina, Emma K. Grant, Jonathan Pettinger, David J. Fallon, Mark Skehel, David House, Nicholas C. O. Tomkinson, Jacob T. Bush

Version 1 posted 06 September 2024

405

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Biological and Medicinal Chemistry

Working Paper

Binding of Inhibitors to the Monomeric and Dimeric SARS-CoV-2 Mpro

Nguyen Minh Tam, Pham Cam Nam, Duong Tuan Quang, Nguyen Thanh Tung, Van Vu, Son Tung Ngo

Version 2 posted 09 November 2020

724

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Theoretical and Computational Chemistry

Working Paper

Computational Design of Potent Inhibitors for SARS-CoV-2’s Main Protease

Abd Al-Aziz A. Abu-Saleh, Ibrahim Awad, Arpita Yadav, Raymond A. Poirier

Version 1 posted 25 June 2020

638

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Theoretical and Computational Chemistry

Working Paper

In-Silico Drug Repurposing for Targeting SARS-CoV-2 Mpro

Shilpa Sharma, Shashank Deep

Version 1 posted 29 April 2020

1,109

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2

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Biological and Medicinal Chemistry

Working Paper

Inhibition of Protease of Novel Corona Virus by Designed Noscapines: Molecular Docking and ADMET Studies

Vijay Kumar Vishvakarma, Kamlesh Kumari, PRASHANT SINGH

Version 1 posted 17 August 2020

583

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3

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Biological and Medicinal Chemistry

Working Paper

Possibility of HIV-1 Protease Inhibitors-Clinical Trial Drugs as Repurposed Drugs for SARSCoV-2 Main Protease: A Molecular Docking, Molecular Dynamics and Binding Free Energy Simulation Study

Ancy Iruthayaraj, Sivanandam Magudeeswaran, Kumaradhas Poomani

Version 1 posted 28 April 2020

704

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Theoretical and Computational Chemistry

Working Paper

Old Arsenal to Combat New Enemy: Repurposing of Commercially Available FDA Approved Drugs Against Main Protease of SARS-CoV2.

Gagandeep Singh, vishal srivastava, Ritpratik Mishra, Gaurav Goel, Tapan Chaudhuri

Version 1 posted 05 October 2020

569

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1

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20 results in SARS-CoV-2 MPro in Keywords: SARS-CoV-2 MPro

Naturally Occurring Anthraquinones as Potential Inhibitors of SARS-CoV-2 Main Protease: A Molecular Docking Study

Drug Repurposing and New Therapeutic Strategies for SARS-CoV-2 Disease Using a Novel Molecular Modeling-AI Hybrid Workflow

Impact of warhead modulations on the covalent inhibition of SARS-CoV-2 Mpro explored by QM/MM simulations

Expedited SARS-CoV-2 main protease inhibitor discovery through modular ‘direct-to-biology’ screening

Binding of Inhibitors to the Monomeric and Dimeric SARS-CoV-2 Mpro

Computational Design of Potent Inhibitors for SARS-CoV-2’s Main Protease

In-Silico Drug Repurposing for Targeting SARS-CoV-2 Mpro

Inhibition of Protease of Novel Corona Virus by Designed Noscapines: Molecular Docking and ADMET Studies

Possibility of HIV-1 Protease Inhibitors-Clinical Trial Drugs as Repurposed Drugs for SARSCoV-2 Main Protease: A Molecular Docking, Molecular Dynamics and Binding Free Energy Simulation Study

Old Arsenal to Combat New Enemy: Repurposing of Commercially Available FDA Approved Drugs Against Main Protease of SARS-CoV2.

20 results in Keywords: SARS-CoV-2 MPro