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Theoretical and Computational Chemistry

Working Paper

Identification of SARS-CoV-2 Cell Entry Inhibitors by Drug Repurposing Using in Silico Structure-Based Virtual Screening Approach

Shweta Choudhary, Yashpal S. Malik, Shailly Tomar

Version 2 posted 15 April 2020

4,926

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Biological and Medicinal Chemistry

Working Paper

Repurposing of FDA-Approved Toremifene to Treat COVID-19 by Blocking the Spike Glycoprotein and NSP14 of SARS-CoV-2

William R. Martin, Feixiong Cheng

Version 1 posted 05 June 2020

856

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2

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Biological and Medicinal Chemistry

Working Paper

The Effect of ACE2 Inhibitor MLN-4760 on the Interaction of SARS-CoV-2 Spike Protein with Human ACE2: A Molecular Dynamics Study

Babak Nami, Avrin Ghanaeian, Kasra Ghanaeian, Negin Nami

Version 1 posted 22 April 2020

2,772

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6

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Theoretical and Computational Chemistry

Working Paper

Discovery of New Hydroxyethylamine Analogs Against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation and Structure-Activity Relationship Studies

Sumit Kumar, Prem Prakash Sharma, Uma Shankar, Dhruv Kumar, Sanjeev K Joshi, Lindomar Pena, Ravi Durvasula, Amit Kumar, Prakasha Kempaiah, Poonam ., Brijesh Rathi

Version 1 posted 06 April 2020

1,182

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Biological and Medicinal Chemistry

Working Paper

Antiretroviral Drug Activity and Potential for Pre-Exposure Prophylaxis Against COVID-19 and HIV Infection

Dennis C. Copertino Jr., Bruno Lima, Rodrigo Duarte, Timothy Wilkin, Roy Gulick, Miguel de Mulder Rougvie, Douglas Nixon

Version 1 posted 07 May 2020

1,302

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2

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Biological and Medicinal Chemistry

Working Paper

Structure-Based Virtual Screening and Molecular Dynamics of Phytochemicals Derived from Saudi Medicinal Plants to Identify Potential COVID-19 Therapeutics

MUBARAK ALAMRI, Ali Altharawi, Alhumaidi B. Alabbas, Manal A. Alossaimi, Safar M. Alqahtani

Version 1 posted 21 May 2020

1,390

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Biological and Medicinal Chemistry

Working Paper

Genetic Algorithm-Based Docking of Potent Inhibitors Against SARS-CoV-2 Main Protease: A Comparison Between Natural Products and Synthetic Drugs.

Pragadeeshwara Rao R, Tinku Basu

Version 1 posted 24 June 2020

622

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Biological and Medicinal Chemistry

Working Paper

Gymnema Sylvestre A- Potential Inhibitor of COVID-19 Main Protease by MD Simulation Study

Senthil Kumar Subramani, Yash Gupta, Manish Manish, GBKS Prasad

Version 1 posted 21 May 2020

999

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4

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Theoretical and Computational Chemistry

Working Paper

An in Silico Scientific Basis for LL-37 as a Therapeutic and Vitamin D as Preventive for Covid-19.

Kiran Bharat Lokhande, Tanushree Banerjee, K. Venkateswara Swamy, Manisha Deshpande

Version 2 posted 29 December 2020

964

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Biological and Medicinal Chemistry

Working Paper

Predicted 3D Models of the SARS-CoV-2 Spike Protein Membrane Proximal External Region and Transmembrane Domain

Alexander Izvorski

Version 1 posted 07 September 2020

634

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1

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305 results in SARS-CoV-2, nsp16, methyltransferase, virtual screening. in Keywords: SARS-CoV-2, nsp16, methyltransferase, virtual screening.

Identification of SARS-CoV-2 Cell Entry Inhibitors by Drug Repurposing Using in Silico Structure-Based Virtual Screening Approach

Repurposing of FDA-Approved Toremifene to Treat COVID-19 by Blocking the Spike Glycoprotein and NSP14 of SARS-CoV-2

The Effect of ACE2 Inhibitor MLN-4760 on the Interaction of SARS-CoV-2 Spike Protein with Human ACE2: A Molecular Dynamics Study

Discovery of New Hydroxyethylamine Analogs Against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation and Structure-Activity Relationship Studies

Antiretroviral Drug Activity and Potential for Pre-Exposure Prophylaxis Against COVID-19 and HIV Infection

Structure-Based Virtual Screening and Molecular Dynamics of Phytochemicals Derived from Saudi Medicinal Plants to Identify Potential COVID-19 Therapeutics

Genetic Algorithm-Based Docking of Potent Inhibitors Against SARS-CoV-2 Main Protease: A Comparison Between Natural Products and Synthetic Drugs.

Gymnema Sylvestre A- Potential Inhibitor of COVID-19 Main Protease by MD Simulation Study

An in Silico Scientific Basis for LL-37 as a Therapeutic and Vitamin D as Preventive for Covid-19.

Predicted 3D Models of the SARS-CoV-2 Spike Protein Membrane Proximal External Region and Transmembrane Domain

305 results in Keywords: SARS-CoV-2, nsp16, methyltransferase, virtual screening.