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Nature Potential for COVID-19: Targeting SARS-CoV-2 Mpro Inhibitor with Bioactive Compound

Kaushik Kumar Bharadwaj, Tanmay Sarkar, Arabinda Ghosh, Debabrat Baishya, Bijuli Rabha, Manasa Kumar Panda, Bryan R. Nelson, Akbar John, Hassan I. Sheikh, Bisnu Prasad Dash, Hisham A. Edinur, Siddhartha Pati

Version 2 posted 01 March 2021

871

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Biological and Medicinal Chemistry

Working Paper

Nature as a Treasure Trove for Anti-COVID-19: Luteolin and Naringenin from Indonesian Traditional Herbal Medicine Reveal Potential SARS-CoV-2 Mpro Inhibitors Insight from in Silico Studies

Wahyu Prasetyo, Triana Kusumaningsih, Maulidan Firdaus

Version 1 posted 11 December 2020

901

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1

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Biological and Medicinal Chemistry

Working Paper

Inhibition of Protease of Novel Corona Virus by Designed Noscapines: Molecular Docking and ADMET Studies

Vijay Kumar Vishvakarma, Kamlesh Kumari, PRASHANT SINGH

Version 1 posted 17 August 2020

560

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3

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Theoretical and Computational Chemistry

Working Paper

Transformer Neural Network for Structure Constrained Molecular Optimization

Jiazhen He, Felix Mattsson, Marcus Forsberg, Esben Jannik Bjerrum, Ola Engkvist, eva nittinger, Christian Tyrchan, Werngard Czechtizky

Version 1 posted 15 April 2021

884

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3

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Biological and Medicinal Chemistry

Working Paper

Identification of Potent Inhibitors of ATP Synthase Subunit C (AtpE) from Mycobacterium Tuberculosis Using in Silico Approach

Mustafa Alhaji Isa

Version 1 posted 17 June 2020

408

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Biological and Medicinal Chemistry

Working Paper

Evaluation of Flavonoids as 2019-nCoV Cell Entry Inhibitor Through Molecular Docking and Pharmacological Analysis

Deep Bhowmik, Rajat Nandi, Diwakar Kumar

Version 1 posted 06 April 2020

2,101

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3

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Biological and Medicinal Chemistry

Working Paper

Thiazolidinones: Potential Human Novel Coronavirus (SARS-CoV-2) Protease Inhibitors Against COVID-19

Vijay Kumar Vishvakarma, Indra Bahadur, Kamlesh Kumari, PRASHANT SINGH

Version 2 posted 03 September 2020

852

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Theoretical and Computational Chemistry

Working Paper

Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment

Jose Jimenez-Luna, Miha Skalic, Nils Weskamp, Gisbert Schneider

Version 1 posted 19 November 2020

1,180

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Biological and Medicinal Chemistry

Working Paper

Antiproliferative, cholinesterase and phosphodiesterase inhibitory activity of the DCM sub-extract of Uvaria alba: In vitro and in silico perspectives

Mark Tristan J. Quimque, Kin Israel R. Notarte, arianne letada, Rey Arturo T. Fernandez, Kirstin Rhys S. Pueblos, Delfin Yñigo H. Pilapil, Jay Carl M. Agbay, Hans-Martin Dahse, Arlette Wenzel-Storjohann, Deniz Tasdemir, Abbas Khan, Dong-Qing We, Allan Patrick G. Macabeo

Version 2 posted 09 September 2020

697

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Biological and Medicinal Chemistry

Working Paper

In Silico Molecular Dynamics Docking of Drugs to the Inhibitory Active Site of SARS-CoV-2 Protease and Their Predicted Toxicology and ADME

Leif Peterson

Version 1 posted 23 April 2020

1,182

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Refine Search

29 results in ADMET in Keywords: ADMET

Nature Potential for COVID-19: Targeting SARS-CoV-2 Mpro Inhibitor with Bioactive Compound

Nature as a Treasure Trove for Anti-COVID-19: Luteolin and Naringenin from Indonesian Traditional Herbal Medicine Reveal Potential SARS-CoV-2 Mpro Inhibitors Insight from in Silico Studies

Inhibition of Protease of Novel Corona Virus by Designed Noscapines: Molecular Docking and ADMET Studies

Transformer Neural Network for Structure Constrained Molecular Optimization

Identification of Potent Inhibitors of ATP Synthase Subunit C (AtpE) from Mycobacterium Tuberculosis Using in Silico Approach

Evaluation of Flavonoids as 2019-nCoV Cell Entry Inhibitor Through Molecular Docking and Pharmacological Analysis

Thiazolidinones: Potential Human Novel Coronavirus (SARS-CoV-2) Protease Inhibitors Against COVID-19

Coloring Molecules with Explainable Artificial Intelligence for Preclinical Relevance Assessment

Antiproliferative, cholinesterase and phosphodiesterase inhibitory activity of the DCM sub-extract of Uvaria alba: In vitro and in silico perspectives

In Silico Molecular Dynamics Docking of Drugs to the Inhibitory Active Site of SARS-CoV-2 Protease and Their Predicted Toxicology and ADME

29 results in Keywords: ADMET