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Biological and Medicinal Chemistry

Working Paper

Discovery of New AKT1 Inhibitors by Combination of In silico Structure Based Virtual Screening Approaches and Biological Evaluations

Filip Fratev, Denisse A. Gutierrez, Renato J. Aguilera, suman sirimulla

Version 1 posted 16 January 2019

978

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1

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Organic Chemistry

Working Paper

Boronic Acid with High Oxidative Stability and Utility in Biological Contexts

Brian Graham, Ian W. Windsor, Brian Gold, Ronald Raines

Version 1 posted 07 December 2020

698

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Biological and Medicinal Chemistry

Working Paper

On the potential pharmacophore for the structure-based inhibitor design against phosphatases

Petar M. Mitrasinovic

Version 1 posted 27 August 2024

82

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Biological and Medicinal Chemistry

Working Paper

The Fourth CACHE Challenge – A Comprehensive Drug Discovery Workflow to Discover Potential Inhibitors of the Tyrosine Kinase Binding Domain of Cbl-b

Mihai Burai-Patrascu, Ophélie Rostaing, Matej Janežič, Antoine Moitessier, Suneel Kumar B. V. S., Joshua Pottel, Nicolas Moitessier

Version 1 posted 25 September 2024

104

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Biological and Medicinal Chemistry

Working Paper

High Performance Computing Prediction of Potential Natural Product Inhibitors of SARS-CoV-2 Key Targets

Kendall Byler, Joseph Landman, Jerome Baudry

Version 2 posted 19 June 2020

1,572

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Biological and Medicinal Chemistry

Working Paper

Potential SARS-CoV-2 Nonstructural Protein 15 (NSP15) Inhibitors: Repurposing FDA-Approved Drugs

Jason Tang, Igor Tsigelny, Jerry Greenberg, Mark Miller, Valentina Kouznetsova

Version 1 posted 11 August 2021

389

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1

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Biological and Medicinal Chemistry

Working Paper

AMPA GluA2 subunit competitive inhibitors for PICK1 PDZ domain: Pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation, and ADME studies

Shravan B. Rathod, Pravin B. Prajapati, Ranjan Pal, Mohmedyasin F. Mansuri

Version 3 posted 12 October 2021

968

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Biological and Medicinal Chemistry

Working Paper

An Online Repository of Solvation Thermodynamic and Structural Maps of SARS-CoV-2 Targets

Brian Olson, Anthony Cruz, Lieyang Chen, Mossa Ghattas, Yeonji Ji, Kunhui Huang, Daniel J. McKay, Tom Kurtzman

Version 1 posted 13 May 2020

740

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Theoretical and Computational Chemistry

Working Paper

Identification of novel PAD4 inhibitors using pharmacophore-based virtual screening, molecular docking, and molecular dynamics simulations

Trashgim Mulosmani, Vivek Malik

Version 1 posted 16 October 2024

100

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9 results in pharmacophore in Keywords: pharmacophore

Discovery of New AKT1 Inhibitors by Combination of In silico Structure Based Virtual Screening Approaches and Biological Evaluations

Boronic Acid with High Oxidative Stability and Utility in Biological Contexts

On the potential pharmacophore for the structure-based inhibitor design against phosphatases

The Fourth CACHE Challenge – A Comprehensive Drug Discovery Workflow to Discover Potential Inhibitors of the Tyrosine Kinase Binding Domain of Cbl-b

High Performance Computing Prediction of Potential Natural Product Inhibitors of SARS-CoV-2 Key Targets

Potential SARS-CoV-2 Nonstructural Protein 15 (NSP15) Inhibitors: Repurposing FDA-Approved Drugs

AMPA GluA2 subunit competitive inhibitors for PICK1 PDZ domain: Pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation, and ADME studies

An Online Repository of Solvation Thermodynamic and Structural Maps of SARS-CoV-2 Targets

Identification of novel PAD4 inhibitors using pharmacophore-based virtual screening, molecular docking, and molecular dynamics simulations

9 results in Keywords: pharmacophore