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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

490

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2

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Biological and Medicinal Chemistry

Working Paper

Repurposing Simeprevir, Calpain Inhibitor IV and a Cathepsin F Inhibitor Against SARS-CoV-2: A Study Using in Silico Pharmacophore Modeling and Docking Methods

Abhithaj J, Dileep Francis, Sharanya C.S, arun kumar, Sadasivan C, Jayadevi Variyar

Version 1 posted 18 May 2020

900

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Biological and Medicinal Chemistry

Working Paper

Drug Repurposing to Identify Therapeutics Against COVID 19 with SARS-Cov-2 Spike Glycoprotein and Main Protease as Targets: An in Silico Study

arun kumar, Sharanya C.S, Abhithaj J, Sadasivan C

Version 1 posted 10 April 2020

933

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2

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Biological and Medicinal Chemistry

Working Paper

Fragment tailoring strategy to design novel chemical entities as potential binders of novel corona virus main protease

Chinmayee Choudhury

Version 2 posted 27 April 2020

998

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Biological and Medicinal Chemistry

Working Paper

Natural Products-based drug design from Bahia Semi-Arid region against SARS-CoV-2 Mpro (3Clpro)

Rai Silva, Humberto Freitas, Njogu Kimani, Cleydson Santos, Samuel Silva da Pita

Version 1 posted 19 August 2021

384

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Biological and Medicinal Chemistry

Working Paper

In Silico Exploration of Repurposing and Optimizing Traditional Chinese Medicine Rutin for Possibly Inhibiting SARS-CoV-2's Main Protease

Tien Huynh, Haoran Wang, Wendy Cornell, Binquan Luan

Version 1 posted 14 May 2020

1,164

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4

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Biological and Medicinal Chemistry

Working Paper

Assessing Potential Inhibitors for SARS-CoV-2 Main Protease from Available Drugs using Free Energy Perturbation Simulations

Son Tung Ngo, Hung Minh Nguyen, Le Thi Thuy Huong, Pham Minh Quan, Vi Khanh Truong, Nguyen Thanh Tung, Van Vu

Version 2 posted 21 October 2020

677

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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

664

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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

2,131

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1

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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

1,342

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31 results in main protease in Keywords: main protease

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

Repurposing Simeprevir, Calpain Inhibitor IV and a Cathepsin F Inhibitor Against SARS-CoV-2: A Study Using in Silico Pharmacophore Modeling and Docking Methods

Drug Repurposing to Identify Therapeutics Against COVID 19 with SARS-Cov-2 Spike Glycoprotein and Main Protease as Targets: An in Silico Study

Fragment tailoring strategy to design novel chemical entities as potential binders of novel corona virus main protease

Natural Products-based drug design from Bahia Semi-Arid region against SARS-CoV-2 Mpro (3Clpro)

In Silico Exploration of Repurposing and Optimizing Traditional Chinese Medicine Rutin for Possibly Inhibiting SARS-CoV-2's Main Protease

Assessing Potential Inhibitors for SARS-CoV-2 Main Protease from Available Drugs using Free Energy Perturbation Simulations

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

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

31 results in Keywords: main protease