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19 results in Keywords: SARS-CoV-2 Mpro

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

517

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Biological and Medicinal Chemistry

Working Paper

In Silico Studies of the Biomolecular Interactions Between Natural Products and SARS-CoV-2 Main Protease

Wilmar Puma-Zamora, Fabian Jimenez, Jesus Antonio Alvarado-Huayhuaz, Gerson Cordova-Serrano, Pierre-Marie Allard, Mariano Prado Acosta, Gustavo E. Olivos-Ramirez, Héctor Condori-Alagón, Ihosvany Camps

Version 1 posted 08 October 2020

528

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Physical Chemistry

Working Paper

Insights into the Binding and Covalent Inhibition Mechanism of PF-07321332 to SARS-CoV-2 Mpro

Son Tung Ngo, Trung Hai Nguyen, Nguyen Thanh Tung, Binh Khanh Mai

Version 1 posted 06 September 2021

1,267

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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

1,052

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Citations

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

924

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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

646

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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

638

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Biological and Medicinal Chemistry

Working Paper

In Silico Screening of Naturally Occurring Coumarin Derivatives for the Inhibition of the Main Protease of SARS-CoV-2

Sona Lyndem, Sharat Sarmah, Sourav Das, Atanu Singha Roy

Version 1 posted 05 May 2020

1,023

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Citations

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

510

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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

299

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19 results in SARS-CoV-2 Mpro in Keywords: SARS-CoV-2 Mpro

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

In Silico Studies of the Biomolecular Interactions Between Natural Products and SARS-CoV-2 Main Protease

Insights into the Binding and Covalent Inhibition Mechanism of PF-07321332 to SARS-CoV-2 Mpro

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

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

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

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

In Silico Screening of Naturally Occurring Coumarin Derivatives for the Inhibition of the Main Protease of SARS-CoV-2

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

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

19 results in Keywords: SARS-CoV-2 Mpro