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Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir (Xocova) Compared with Its Initial Screening Hit

Chiduru Watanabe, Shigenori Tanaka, Yoshio Okiyama, Hitomi Yuki, Tatsuya Ohyama, Kikuko Kamisaka, Daisuke Takaya, Kaori Fukuzawa, Teruki Honma

Version 1 posted 02 December 2022

269

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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

262

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1

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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

432

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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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Biological and Medicinal Chemistry

Working Paper

Drug Repurposing Against SARS-CoV-2 Using E-Pharmacophore Based Virtual Screening and Molecular Docking with Main Protease as the Target

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

Version 1 posted 28 April 2020

1,083

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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

1,237

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4

Citations

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

704

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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

719

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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

2,192

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Biological and Medicinal Chemistry

Working Paper

Repurposing of FDA Approved Drugs for the Identification of Potential Inhibitors of SARS-CoV-2 Main Protease

Abhik Kumar Ray, Parth Sarthi Sen Gupta, Saroj Kumar Panda, Satyaranjan Biswal, Malay Kumar Rana

Version 2 posted 14 May 2020

1,223

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2

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Refine Search

32 results in main protease in Keywords: main protease

Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir (Xocova) Compared with Its Initial Screening Hit

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

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

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

Drug Repurposing Against SARS-CoV-2 Using E-Pharmacophore Based Virtual Screening and Molecular Docking with Main Protease as the Target

In Silico Exploration of Repurposing and Optimizing Traditional Chinese Medicine Rutin for Possibly 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

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

Repurposing of FDA Approved Drugs for the Identification of Potential Inhibitors of SARS-CoV-2 Main Protease

32 results in Keywords: main protease