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58 results in Keywords: drug Repurposing

Biological and Medicinal Chemistry

Working Paper

Profiling Molecular Simulations of SARS-CoV-2 Main Protease (Mpro) Binding to Repurposed Drugs Using Neural Network Force Fields

Aayush Gupta

Version 3 posted 29 July 2020

1,232

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Biological and Medicinal Chemistry

Working Paper

Novel Inhibitors of the Main Protease of SARS-CoV-2 Identified via a Molecular Dynamics Simulation-Guided in Vitro Assay

Jennifer Loschwitz, Anna Jäckering, Monika Keutmann, Maryam Olagunju, Raphael J. Eberle, Monika A. Coronado, Olujide O. Olubiyi, Birgit Strodel

Version 1 posted 09 November 2020

997

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Biological and Medicinal Chemistry

Working Paper

An Integrative in Silico Drug Repurposing Approach for Identification of Potential Inhibitors of SARS-CoV-2 Main Protease

Nemanja Djokovic, Dusan Ruzic, Teodora Djikic, Sandra Cvijic, Jelisaveta Ignjatovic, Svetlana Ibric, Katarina Baralic, Aleksandra Buha Djordjevic, Marijana Curcic, Danijela Djukic-Cosic, Katarina Nikolic

Version 1 posted 30 June 2020

594

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Theoretical and Computational Chemistry

Working Paper

Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike Receptor-Binding Domain Bound with ACE2 COVID19 Target Proteins: A Virtual Drug Repurposing Study

Serdar Durdagi, Busecan Aksoydan, Berna Dogan, Kader Sahin, Aida Shahraki, Necla Birgül-İyison

Version 2 posted 27 April 2020

3,532

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Biological and Medicinal Chemistry

Working Paper

Potential COVID-19 therapies from computational repurposing of drugs and natural products against the SARS-CoV-2 helicase

Sakshi Piplani, Puneet Singh, David Winkler, Nikolai Petrovsky

Version 1 posted 04 March 2022

247

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Biological and Medicinal Chemistry

Working Paper

A Network Medicine Approach to Investigation and Population-based Validation of Disease Manifestations and Drug Repurposing for COVID-19

Yadi Zhou, Yuan Hou, Jiayu Shen, Asha Kalianpur, Joe Zein, Daniel A. Culver, Samar Farha, Suzy Comhair, Claudio Fiocchi, Michaela U. Gack, Reena Mehra, Thaddeus S Stappenbeck, Timothy Chan, Charis Eng, Jae U. Jung, Lara Jehi, Serpil Erzurum, Feixiong Cheng

Version 1 posted 02 July 2020

1,610

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Theoretical and Computational Chemistry

Working Paper

Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs

Miquel Duran-Frigola, Martino Bertoni, Eduardo Pauls, Victor Alcalde, Gemma Turon, Nuria Villegas, Adria Fernandez-Torras, Carles Pons, Lidia Mateo, Oriol Guitart-Pla, Pau Badia-i-Mompel, Aleix Gimeno, Nicolas Soler, Isabelle Brun-Heath, Patrick Aloy

Version 2 posted 30 April 2020

962

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Biological and Medicinal Chemistry

Working Paper

Structure Based Drug Repurposing Through Targeting Nsp9 Replicase and Spike Proteins of SARS-CoV-2

Vaishali Chandel, Prem Prakash Sharma, Sibin Raj, Brijesh Rathi, Dhruv Kumar

Version 1 posted 14 May 2020

913

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Biological and Medicinal Chemistry

Working Paper

Prediction of SARS-CoV-2 Main Protease Inhibitors from Several Medicinal Plant Compounds by Drug Repurposing and Molecular Docking Approach.

Sayma Farabi, Nihar Ranjan Saha, Noushin Anika Khan, Md. Hasanuzzaman

Version 1 posted 08 June 2020

1,208

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Biological and Medicinal Chemistry

Working Paper

Drug Repurposing for Covid-19: Discovery of Potential Small-Molecule Inhibitors of Spike Protein-ACE2 Receptor Interaction Through Virtual Screening and Consensus Scoring

Sachin Patil, Jeremy Hofer, Pedro J. Ballester, Elena Fattakhova, Juliette DiFlumeri, Autumn Campbell, Michael Oravic

Version 1 posted 17 June 2020

2,151

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58 results in drug Repurposing in Keywords: drug Repurposing

Profiling Molecular Simulations of SARS-CoV-2 Main Protease (Mpro) Binding to Repurposed Drugs Using Neural Network Force Fields

Novel Inhibitors of the Main Protease of SARS-CoV-2 Identified via a Molecular Dynamics Simulation-Guided in Vitro Assay

An Integrative in Silico Drug Repurposing Approach for Identification of Potential Inhibitors of SARS-CoV-2 Main Protease

Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike Receptor-Binding Domain Bound with ACE2 COVID19 Target Proteins: A Virtual Drug Repurposing Study

Potential COVID-19 therapies from computational repurposing of drugs and natural products against the SARS-CoV-2 helicase

A Network Medicine Approach to Investigation and Population-based Validation of Disease Manifestations and Drug Repurposing for COVID-19

Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs

Structure Based Drug Repurposing Through Targeting Nsp9 Replicase and Spike Proteins of SARS-CoV-2

Prediction of SARS-CoV-2 Main Protease Inhibitors from Several Medicinal Plant Compounds by Drug Repurposing and Molecular Docking Approach.

Drug Repurposing for Covid-19: Discovery of Potential Small-Molecule Inhibitors of Spike Protein-ACE2 Receptor Interaction Through Virtual Screening and Consensus Scoring

58 results in Keywords: drug Repurposing