Identification of novel TMPRSS2 inhibitors for COVID-19 using e-pharmacophore modelling, molecular docking, molecular dynamics and quantum mechanics studies
Open Access
- 14 October 2021
- journal article
- research article
- Published by Elsevier in Informatics in Medicine Unlocked
- Vol. 26, 100758
Abstract
No abstract availableKeywords
This publication has 38 references indexed in Scilit:
- The Spike Protein of the Emerging Betacoronavirus EMC Uses a Novel Coronavirus Receptor for Entry, Can Be Activated by TMPRSS2, and Is Targeted by Neutralizing AntibodiesJournal of Virology, 2013
- Evidence that TMPRSS2 Activates the Severe Acute Respiratory Syndrome Coronavirus Spike Protein for Membrane Fusion and Reduces Viral Control by the Humoral Immune ResponseJournal of Virology, 2011
- A Transmembrane Serine Protease Is Linked to the Severe Acute Respiratory Syndrome Coronavirus Receptor and Activates Virus EntryJournal of Virology, 2011
- Membrane-Anchored Serine Proteases in Health and Disease2011
- Efficient Activation of the Severe Acute Respiratory Syndrome Coronavirus Spike Protein by the Transmembrane Protease TMPRSS2Journal of Virology, 2010
- Synthesis, anticonvulsant activity and 3D-QSAR study of some prop-2-eneamido and 1-acetyl-pyrazolin derivatives of aminobenzothiazoleEuropean Journal of Medicinal Chemistry, 2010
- Novel Method for Generating Structure-Based Pharmacophores Using Energetic AnalysisJournal of Chemical Information and Modeling, 2009
- Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA ScoringJournal of Medicinal Chemistry, 2006
- The membrane-anchored serine protease, TMPRSS2, activates PAR-2 in prostate cancer cellsBiochemical Journal, 2005
- Identification of a Novel Coronavirus in Patients with Severe Acute Respiratory SyndromeNew England Journal of Medicine, 2003