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7 results in Keywords: polypharmacology

Theoretical and Computational Chemistry

Working Paper

Multi-Target Dopamine D3 Receptor Modulators: Actionable Knowledge for Drug Design from Molecular Dynamics and Machine Learning

Mariarosaria Ferraro, Sergio Decherchi, Alessio De Simone, Maurizio Recanatini, Andrea Cavalli, Giovanni Bottegoni

Version 1 posted 03 June 2019

1,012

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Biological and Medicinal Chemistry

Working Paper

The Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning

Mahendra Awale, Jean-Louis Reymond

Version 1 posted 02 August 2018

1,241

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Biological and Medicinal Chemistry

Working Paper

PolypharmDB, a Deep Learning-Based Resource, Quickly Identifies Repurposed Drug Candidates for COVID-19

Dar'ya S. Redka, Stephen S. MacKinnon, Melissa Landon, Andreas Windemuth, Naheed Kurji, Vijay Shahani

Version 1 posted 06 April 2020

2,714

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Theoretical and Computational Chemistry

Working Paper

Polypharmacology of Some Medicinal Plant Metabolites Against SARS-CoV-2 and Host Targets: Molecular Dynamics Evaluation of NSP9 RNA Binding Protein

Suritra Bandyopadhyay, Omobolanle Abimbola Abiodun, Blessing Chinweotito Ogboo, Adeola Tawakalitu Kola-Mustapha, Emmanuel Ifeanyi Attah, Lawrence Edemhanria, Ankita Kumari, Ravindran Jaganathan, Niyi Samuel Adelakun

Version 1 posted 14 September 2020

874

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Biological and Medicinal Chemistry

Working Paper

Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1

Ina Poehner, Antonio Quotadamo, Joanna Panecka-Hofman, Rosaria Luciani, Matteo Santucci, Pasquale Linciano, Giacomo Landi, Flavio Di Pisa, Lucia Dello Iacono, Cecilia Pozzi, Stefano Mangani, Sheraz Gul, Gesa Witt, Bernhard Ellinger, Maria Kuzikov, Nuno Santarem, Anabela Cordeiro-da-Silva, Maria Paola Costi, Alberto Venturelli, Rebecca Wade

Version 5 posted 04 May 2022

1,300

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Biological and Medicinal Chemistry

Working Paper

7-Aminoalkoxy-Quinazolines from Epigenetic Focused Libraries are Potent and Selective Inhibitors of DNA Methyltransferase 1

José L. Medina-Franco, Edgar López-López, Liliam P. Martínez-Fernández

Version 1 posted 08 March 2022

261

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Biological and Medicinal Chemistry

Working Paper

Evaluation of Binding Site Comparison Algorithms and Proteometric Machine Learning Models in the Detection of Protein Pockets Capable of Binding the Same Ligand

Zied Gaieb, conor parks, Rommie Amaro

Version 1 posted 31 July 2019

546

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7 results in polypharmacology in Keywords: polypharmacology

Multi-Target Dopamine D3 Receptor Modulators: Actionable Knowledge for Drug Design from Molecular Dynamics and Machine Learning

The Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning

PolypharmDB, a Deep Learning-Based Resource, Quickly Identifies Repurposed Drug Candidates for COVID-19

Polypharmacology of Some Medicinal Plant Metabolites Against SARS-CoV-2 and Host Targets: Molecular Dynamics Evaluation of NSP9 RNA Binding Protein

Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1

7-Aminoalkoxy-Quinazolines from Epigenetic Focused Libraries are Potent and Selective Inhibitors of DNA Methyltransferase 1

Evaluation of Binding Site Comparison Algorithms and Proteometric Machine Learning Models in the Detection of Protein Pockets Capable of Binding the Same Ligand

7 results in Keywords: polypharmacology