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10 results in Keywords: Main protease (Mpro)

Biological and Medicinal Chemistry

Working Paper

Targeting SARS-CoV-2 Main Protease Variants: Investigating the Role of the P132H Mutation in Ligand Binding and the Potential of Withania somnifera Phytochemicals

Vibha Mishra, Divya Malik, Shivangi Agrawal, Bhavya Bhavya, Ekta Pathak, Rajeev Mishra

Version 1 posted 30 December 2024

132

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Biological and Medicinal Chemistry

Working Paper

Computational Determination of Potential Inhibitors of SARS-CoV-2 Main Protease

Son Tung Ngo, Ngoc Quynh Anh Pham, Ly Le, Duc-Hung Pham, Van Vu

Version 2 posted 02 June 2020

1,580

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Biological and Medicinal Chemistry

Working Paper

Rapid Prediction of Possible Inhibitors for SARS-CoV-2 Main Protease using Docking and FPL Simulations

Pham Minh Quan, Khanh B. Vu, T. Ngoc Han Pham, Le Thi Thuy Huong, Linh Hoang Tran, Nguyen Thanh Tung, Van Vu, Trung Hai Nguyen, Son Tung Ngo

Version 2 posted 10 August 2020

899

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Biological and Medicinal Chemistry

Working Paper

Novel Structural Mechanism of Glutathione as a Potential Peptide Inhibitor to the Main Protease (Mpro): CoviD-19 Treatment, Molecular Docking and SAR Study

Abderahmane LINANI, Khedidja BENAROUS, Mohamed Yousfi

Version 1 posted 21 April 2020

1,625

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Theoretical and Computational Chemistry

Working Paper

Interfacial Water Many-body Effects Drive Structural Dynamics and Allosteric interactions in SARS-CoV-2 Main Protease Dimerization Interface

Dina El Ahdab, Louis Lagardère, Theo Jaffrelot Inizan, Frédéric Célerse, Chengwen Liu, Olivier Adjoua, Luc-Henri Jolly, Nohad Gresh, Zeina Hobaika, Pengyu Ren, Richard G. Maroun, Jean-Philip Piquemal

Version 2 posted 02 June 2021

593

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Theoretical and Computational Chemistry

Working Paper

In Silico Investigation of Spice Molecules as Potent Inhibitor of SARS-CoV-2

Janmejaya Rout, Bikash Chandra Swain, Umakanta Tripathy

Version 1 posted 20 May 2020

1,168

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Citations

Agriculture and Food Chemistry

Working Paper

In silico Screening of Cyanobacterial and Food Bioactive Compounds to Predict Potential Inhibitors of COVID-19 Main protease (Mpro), Papain-like protease (PLpro) and RNA-dependent RNA polymerase (RdRp)

Brahmaiah Pendyala, Ankit Patras

Version 3 posted 16 May 2022

3,903

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Biological and Medicinal Chemistry

Working Paper

An In-Silico Study on Selected Organosulfur Compounds as Potential Drugs for SARS-CoV-2 Infection via Binding Multiple Drug Targets

Liya Thurakkal, Satyam Singh, Sushabhan Sadhukhan, Mintu Porel

Version 1 posted 19 June 2020

752

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Biological and Medicinal Chemistry

Working Paper

Repurposing drugs against main protease of SARS-CoV-2: mechanism based insights supported by available laboratory and clinical data

Sohini Chakraborti, Sneha Bheemireddy, Narayanaswamy Srinivasan

Version 2 posted 18 May 2020

3,626

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Theoretical and Computational Chemistry

Working Paper

Identification of Potential Inhibitors of SARS-CoV-2 Main Protease via a Rapid In-Silico Drug Repurposing Approach

Cesar Mendoza-Martinez, Alejandro Rodriguez-Lezama

Version 1 posted 09 April 2020

1,207

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10 results in Main protease (Mpro) in Keywords: Main protease (Mpro)

Targeting SARS-CoV-2 Main Protease Variants: Investigating the Role of the P132H Mutation in Ligand Binding and the Potential of Withania somnifera Phytochemicals

Computational Determination of Potential Inhibitors of SARS-CoV-2 Main Protease

Rapid Prediction of Possible Inhibitors for SARS-CoV-2 Main Protease using Docking and FPL Simulations

Novel Structural Mechanism of Glutathione as a Potential Peptide Inhibitor to the Main Protease (Mpro): CoviD-19 Treatment, Molecular Docking and SAR Study

Interfacial Water Many-body Effects Drive Structural Dynamics and Allosteric interactions in SARS-CoV-2 Main Protease Dimerization Interface

In Silico Investigation of Spice Molecules as Potent Inhibitor of SARS-CoV-2

In silico Screening of Cyanobacterial and Food Bioactive Compounds to Predict Potential Inhibitors of COVID-19 Main protease (Mpro), Papain-like protease (PLpro) and RNA-dependent RNA polymerase (RdRp)

An In-Silico Study on Selected Organosulfur Compounds as Potential Drugs for SARS-CoV-2 Infection via Binding Multiple Drug Targets

Repurposing drugs against main protease of SARS-CoV-2: mechanism based insights supported by available laboratory and clinical data

Identification of Potential Inhibitors of SARS-CoV-2 Main Protease via a Rapid In-Silico Drug Repurposing Approach

10 results in Keywords: Main protease (Mpro)