Related references
Note: Only part of the references are listed.Androgen-deprivation therapies for prostate cancer and risk of infection by SARS-CoV-2: a population-based study (N=4532)
M. Montopoli et al.
ANNALS OF ONCOLOGY (2020)
SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor
Markus Hoffmann et al.
CELL (2020)
Potential new treatment strategies for COVID-19: is there a role for bromhexine as add-on therapy?
Markus Depfenhart et al.
INTERNAL AND EMERGENCY MEDICINE (2020)
Rational Design of Allosteric and Selective Inhibitors of the Molecular Chaperone TRAP1
Carlos Sanchez-Martin et al.
CELL REPORTS (2020)
SARS-CoV-2 entry factors are highly expressed in nasal epithelial cells together with innate immune genes
Waradon Sungnak et al.
NATURE MEDICINE (2020)
TMPRSS2 and TMPRSS4 promote SARS-CoV-2 infection of human small intestinal enterocytes
Ruochen Zang et al.
SCIENCE IMMUNOLOGY (2020)
TMPRSS2 and furin are both essential for proteolytic activation of SARS-CoV-2 in human airway cells
Dorothea Bestle et al.
LIFE SCIENCE ALLIANCE (2020)
Repurposing the mucolytic cough suppressant and TMPRSS2 protease inhibitor bromhexine for the prevention and management of SARS-CoV-2 infection
Roberto Maggio et al.
PHARMACOLOGICAL RESEARCH (2020)
Possible use of the mucolytic drug, bromhexine hydrochloride, as a prophylactic agent against SARS-CoV-2 infection based on its action on the Transmembrane Serine Protease 2
Solomon Habtemariam et al.
PHARMACOLOGICAL RESEARCH (2020)
Bromhexine Hydrochloride Tablets for the Treatment of Moderate COVID-19: An Open-Label Randomized Controlled Pilot Study
Ting Li et al.
CTS-CLINICAL AND TRANSLATIONAL SCIENCE (2020)
Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages
Natesh Singh et al.
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES (2020)
Gene of the month: TMPRSS2 (transmembrane serine protease 2)
Michelle Thunders et al.
JOURNAL OF CLINICAL PATHOLOGY (2020)
Effect of bromhexine on clinical outcomes and mortality in COVID-19 patients: A randomized clinical trial
Khalil Ansarin et al.
BIOIMPACTS (2020)
An Enzymatic TMPRSS2 Assay for Assessment of Clinical Candidates and Discovery of Inhibitors as Potential Treatment of COVID-19
Jonathan H. Shrimp et al.
ACS PHARMACOLOGY & TRANSLATIONAL SCIENCE (2020)
Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition
James R. Partridge et al.
JOURNAL OF STRUCTURAL BIOLOGY (2019)
Toward Comprehensive Allosteric Control over Protein Activity
Enrico Guarnera et al.
STRUCTURE (2019)
Oxidation State Dependent Conformational Changes of HMGB1 Regulate the Formation of the CXCL12/HMGB1 Heterocomplex
Enrico M. A. Fassi et al.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (2019)
Ensemble Docking in Drug Discovery
Rommie E. Amaro et al.
BIOPHYSICAL JOURNAL (2018)
Structural Biology of STAT3 and Its Implications for Anticancer Therapies Development
Jacopo Sgrignani et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2018)
CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction
Youjun Xu et al.
NUCLEIC ACIDS RESEARCH (2018)
SWISS-MODEL: homology modelling of protein structures and complexes
Andrew Waterhouse et al.
NUCLEIC ACIDS RESEARCH (2018)
TTClust: A Versatile Molecular Simulation Trajectory Clustering Program with Graphical Summaries
Thibault Tubiana et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2018)
Role of Protein Dimeric Interface in Allosteric Inhibition of N-Acetyl-Aspartate Hydrolysis by Human Aspartoacylase
Ekaterina D. Kots et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)
Airway proteases: an emerging drug target for influenza and other respiratory virus infections
Manon Laporte et al.
CURRENT OPINION IN VIROLOGY (2017)
Optimization of Substrate-Analogue Furin Inhibitors
Teodora Ivanova et al.
CHEMMEDCHEM (2017)
TMPRSS2: A potential target for treatment of influenza virus and coronavirus infections
Li Wen Shen et al.
BIOCHIMIE (2017)
DeepSite: protein-binding site predictor using 3D-convolutional neural networks
J. Jimenez et al.
BIOINFORMATICS (2017)
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
In vitro characterization of TMPRSS2 inhibition in IPEC-J2 cells
Erzsebet Paszti-Gere et al.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2016)
The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins
Dima Kozakov et al.
NATURE PROTOCOLS (2015)
PARS: a web server for the prediction of Protein Allosteric and Regulatory Sites
Alejandro Panjkovich et al.
BIOINFORMATICS (2014)
Computational Approaches Elucidate the Allosteric Mechanism of Human Aromatase Inhibition: A Novel Possible Route to Small-Molecule Regulation of CYP450s Activities?
Jacopo Sgrignani et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
ALMOST: An All Atom Molecular Simulation Toolkit for Protein Structure Determination
Biao Fu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2014)
MicroScale Thermophoresis: Interaction analysis and beyond
Moran Jerabek-Willemsen et al.
JOURNAL OF MOLECULAR STRUCTURE (2014)
How I Chose Research on Proteases or, More Correctly, How it Chose Me
Robert Huber
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Development and Characterization of New Peptidomimetic Inhibitors of the West Nile Virus NS2B-NS3 Protease
M. Zouhir Hammamy et al.
CHEMMEDCHEM (2013)
Molecular Interaction Studies Using Microscale Thermophoresis
Moran Jerabek-Willemsen et al.
ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES (2011)
PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions
Mats H. M. Olsson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
TMPRSS2, a Serine Protease Expressed in the Prostate on the Apical Surface of Luminal Epithelial Cells and Released into Semen in Prostasomes, Is Misregulated in Prostate Cancer Cells
Ya-Wen Chen et al.
AMERICAN JOURNAL OF PATHOLOGY (2010)
Roll: a new algorithm for the detection of protein pockets and cavities with a rolling probe sphere
Jian Yu et al.
BIOINFORMATICS (2010)
Homology modeling in drug discovery: current trends and applications
Claudio N. Cavasotto et al.
DRUG DISCOVERY TODAY (2009)
Identifying and Characterizing Binding Sites and Assessing Druggability
Thomas A. Halgren
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Insights into Docking and Scoring Neuronal α4β2 Nicotinic Receptor Agonists Using Molecular Dynamics Simulations and QM/MM Calculations
Jacopo Sgrignani et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
An improved relaxed complex scheme for receptor flexibility in computer-aided drug design
Rommie E. Amaro et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2008)
ProSA-web: interactive web service for the recognition of errors in three-dimensional structures of proteins
Markus Wiederstein et al.
NUCLEIC ACIDS RESEARCH (2007)
New method for fast and accurate binding-site identification and analysis
Tom Halgren
CHEMICAL BIOLOGY & DRUG DESIGN (2007)
Novel procedure for modeling ligand/receptor induced fit effects
W Sherman et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
Advances in homology protein structure modeling
Zhexin Xiang
CURRENT PROTEIN & PEPTIDE SCIENCE (2006)
Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
RA Friesner et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Theoretical perspectives on the reaction mechanism of serine proteases: The reaction free energy profiles of the acylation process
T Ishida et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Type II transmembrane serine proteases
R Szabo et al.
THROMBOSIS AND HAEMOSTASIS (2003)
Estimating the number of clusters in a data set via the gap statistic
R Tibshirani et al.
JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES B-STATISTICAL METHODOLOGY (2001)