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Chemistry

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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

971

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Chemistry

Working Paper

Liquiritin from Glycirrhyza Glabra L (Fabaceae) - a Natural Derived Drug, as a Potential Inhibitor for SARS-CoV-2

Akash Vanzara, Ravi Patel, Amisha Patel, Nimisha Patel, Kapil Yadav, Padamnabhi Nagar

Version 1 posted 16 February 2021

732

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Chemistry

Working Paper

The Structure-Based Design of SARS-CoV-2 Nsp14 Methyltransferase Ligands Yields Nanomolar Inhibitors

Tomáš Otava, Michal Šála, Fengling Li, Jindřich Fanfrlík, Kanchan Devkota, Paknoosh Pakarian, Pavel Hobza, Masoud Vedadi, Evzen Boura, Radim Nencka

Version 1 posted 23 February 2021

800

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2

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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

1,592

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Chemistry

Working Paper

Free Energy Landscapes and Residue Network Analysis for Six SARS-CoV-2 Targets in Complex with Plausible Phytochemical Inhibitors from Withania Somnifera: 1 µS Molecular Dynamics Simulations

Pratap Kumar Parida, Dipak Paul, Debamitra Chakravorty

Version 1 posted 29 April 2021

1,240

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1

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Chemistry

Working Paper

An Overview of Coronaviruses: In-Silico Approach to Decipher Anti-SARS-CoV-2 Natural Products

Patil Shivprasad Suresh, Shiv Shankar Gupta, Anmol Sharma, Upendra Sharma

Version 1 posted 10 August 2020

952

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1

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Chemistry

Working Paper

Poly-L-lysine Glycoconjugates Inhibit DC-SIGN-mediated Attachment of Pandemic Viruses

Jonathan Cramer, Butrint Aliu, Xiaohua Jiang, Timothy Sharpe, Lijuan Pang, Adrian Hadorn, Said Rabbani, Beat Ernst

Version 1 posted 09 October 2020

1,059

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Chemistry

Working Paper

How Does the Novel Coronavirus Interact with the Human ACE2 Enzyme? A Thermodynamic Answer

Jones de Andrade, Paulo Fernando Bruno Gonçalves, Paulo Augusto Netz

Version 2 posted 27 May 2020

1,158

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2

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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

1,339

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1

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Chemistry

Working Paper

Structural and mechanistic insights into Main protease (Mpro) dimer interface destabilization inhibitor: Unveiling new therapeutic avenues against SARS-CoV-2

Ankur Singh, Kuldeep jangid, Sanketkumar Nehul, Preeti Dhaka, Ruchi Rani, Akshay Pareek, Gaurav Sharma, Pravindra Kumar, Shailly Tomar

Version 3 posted 07 October 2024

3,229

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327 results in SARS-CoV-2 in Keywords: SARS-CoV-2

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

Liquiritin from Glycirrhyza Glabra L (Fabaceae) - a Natural Derived Drug, as a Potential Inhibitor for SARS-CoV-2

The Structure-Based Design of SARS-CoV-2 Nsp14 Methyltransferase Ligands Yields Nanomolar Inhibitors

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

Free Energy Landscapes and Residue Network Analysis for Six SARS-CoV-2 Targets in Complex with Plausible Phytochemical Inhibitors from Withania Somnifera: 1 µS Molecular Dynamics Simulations

An Overview of Coronaviruses: In-Silico Approach to Decipher Anti-SARS-CoV-2 Natural Products

Poly-L-lysine Glycoconjugates Inhibit DC-SIGN-mediated Attachment of Pandemic Viruses

How Does the Novel Coronavirus Interact with the Human ACE2 Enzyme? A Thermodynamic Answer

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

Structural and mechanistic insights into Main protease (Mpro) dimer interface destabilization inhibitor: Unveiling new therapeutic avenues against SARS-CoV-2

327 results in Keywords: SARS-CoV-2