Related references
Note: Only part of the references are listed.Antitussive noscapine and antiviral drug conjugates as arsenal against COVID-19: a comprehensive chemoinformatics analysis
Neeraj Kumar et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)
Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment
Subramanian Boopathi et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Identification of potential Mpro inhibitors for the treatment of COVID-19 by using systematic virtual screening approach
Ashish M. Kanhed et al.
MOLECULAR DIVERSITY (2021)
The Role of Acidosis in the Pathogenesis of Severe Forms of COVID-19
Yury D. Nechipurenko et al.
BIOLOGY-BASEL (2021)
Targeting SARS-CoV-2 viral proteases as a therapeutic strategy to treat COVID-19
Varada Anirudhan et al.
JOURNAL OF MEDICAL VIROLOGY (2021)
Insights of Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV-2) pandemic: a current review
Jyoti Choudhary et al.
BIOLOGICAL PROCEDURES ONLINE (2021)
Inhibitor Binding Influences the Protonation State of Histidines in SARS-CoV-2 Main Protease
Anna Pavlova et al.
BIOPHYSICAL JOURNAL (2021)
Evidence of Protein Binding by a Nucleopeptide Based on a Thymine-decorated L-Diaminopropanoic Acid through CD and In Silico Studies
Valentina Roviello et al.
CURRENT MEDICINAL CHEMISTRY (2021)
Bepridil is potent against SARS-CoV-2 in vitro
Erol C. Vatansever et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2021)
Flexibility and mobility of SARS-CoV-2-related protein structures
Rudolf A. Roemer et al.
SCIENTIFIC REPORTS (2021)
Structural Basis of Potential Inhibitors Targeting SARS-CoV-2 Main Protease
Hylemariam Mihiretie Mengist et al.
FRONTIERS IN CHEMISTRY (2021)
Investigating the Internalization and COVID-19 Antiviral Computational Analysis of Optimized Nanoscale Zinc Oxide
Mohamed Hamdi et al.
ACS OMEGA (2021)
The Inhibitory Effects of Plant Derivate Polyphenols on the Main Protease of SARS Coronavirus 2 and Their Structure-Activity Relationship
Thi Thanh Hanh Nguyen et al.
MOLECULES (2021)
Is PF-00835231 a Pan-SARS-CoV-2 Mpro Inhibitor? A Comparative Study
Mohammad Hassan Baig et al.
MOLECULES (2021)
The dimer-monomer equilibrium of SARS-CoV-2 main protease is affected by small molecule inhibitors
Lucia Silvestrini et al.
SCIENTIFIC REPORTS (2021)
Rutin Is a Low Micromolar Inhibitor of SARS-CoV-2 Main Protease 3CLpro: Implications for Drug Design of Quercetin Analogs
Bruno Rizzuti et al.
BIOMEDICINES (2021)
Antiviral Activity of Metabolites from Peruvian Plants against SARS-CoV-2: An In Silico Approach
Luis Daniel Goyzueta-Mamani et al.
MOLECULES (2021)
In Silico Investigation on the Interaction of Chiral Phytochemicals from Opuntia ficus-indica with SARS-CoV-2 Mpro
Caterina Vicidomini et al.
SYMMETRY-BASEL (2021)
Myricetin Inhibits SARS-CoV-2 Viral Replication by Targeting Mpro and Ameliorates Pulmonary Inflammation
Ting Xiao et al.
FRONTIERS IN PHARMACOLOGY (2021)
The impact of curcumin derived polyphenols on the structure and flexibility COVID-19 main protease binding pocket: a molecular dynamics simulation study
Aweke Mulu et al.
PEERJ (2021)
Efficiency Improvements and Discovery of New Substrates for a SARS-CoV-2 Main Protease FRET Assay
Tonko Drazic et al.
SLAS DISCOVERY (2021)
Acid pH Increases SARS-CoV-2 Infection and the Risk of Death by COVID-19
Leandro Jimenez et al.
FRONTIERS IN MEDICINE (2021)
Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332
Matteo Pavan et al.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2021)
Influence of charge configuration on substrate binding to SARS-CoV-2 main protease
Natalia Diaz et al.
CHEMICAL COMMUNICATIONS (2021)
A novel coronavirus outbreak of global health concern
Chen Wang et al.
LANCET (2020)
An interactive web-based dashboard to track COVID-19 in real time
Ensheng Dong et al.
LANCET INFECTIOUS DISEASES (2020)
The species Severe acute respiratory syndrome-related coronavirus: classifying 2019-nCoV and naming it SARS-CoV-2
Alexander E. Gorbalenya et al.
NATURE MICROBIOLOGY (2020)
Lactate dehydrogenase levels predict coronavirus disease 2019 (COVID-19) severity and mortality: A pooled analysis
Brandon Michael Henry et al.
AMERICAN JOURNAL OF EMERGENCY MEDICINE (2020)
Physicochemical properties of SARS-CoV-2 for drug targeting, virus inactivation and attenuation, vaccine formulation and quality control
Christin Scheller et al.
ELECTROPHORESIS (2020)
Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition
Aleix Gimeno et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2020)
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease
Wenhao Dai et al.
SCIENCE (2020)
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
Linlin Zhang et al.
SCIENCE (2020)
Targeting the Dimerization of the Main Protease of Coronaviruses: A Potential Broad-Spectrum Therapeutic Strategy
Bhupesh Goyal et al.
ACS COMBINATORIAL SCIENCE (2020)
Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
Zhenming Jin et al.
NATURE (2020)
Research progress on repositioning drugs and specific therapeutic drugs for SARS-CoV-2
Shiyong Fan et al.
FUTURE MEDICINAL CHEMISTRY (2020)
Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease
Chunlong Ma et al.
CELL RESEARCH (2020)
Structural stability of SARS-CoV-2 3CLpro and identification of quercetin as an inhibitor by experimental screening
Olga Abian et al.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2020)
SARS-CoV-2 Main Protease: A Molecular Dynamics Study
Dimas Suarez et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
The SARS-CoV-2 main protease as drug target
Sven Ullrich et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2020)
Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography
Daniel W. Kneller et al.
NATURE COMMUNICATIONS (2020)
Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19
Robert L. Hoffman et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Biochemical screening for SARS-CoV-2 main protease inhibitors
Camila Coelho et al.
PLOS ONE (2020)
Proton-Coupled Conformational Activation of SARS Coronavirus Main Proteases and Opportunity for Designing Small-Molecule Broad-Spectrum Targeted Covalent Inhibitors
Neha Verma et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Biochemical and biophysical characterization of the main protease, 3-chymotrypsin-like protease (3CLpro) from the novel coronavirus SARS-CoV 2
Juliana C. Ferreira et al.
SCIENTIFIC REPORTS (2020)
Role of Endolysosomes in Severe Acute Respiratory Syndrome Coronavirus-2 Infection and Coronavirus Disease 2019 Pathogenesis: Implications for Potential Treatments
Nabab Khan et al.
FRONTIERS IN PHARMACOLOGY (2020)
Revealing the molecular mechanisms of proteolysis of SARS-CoV-2 Mpro by QM/MM computational methods
Katarzyna Swiderek et al.
CHEMICAL SCIENCE (2020)
Statins and the COVID-19 main protease: in silico evidence on direct interaction
Zeljko Reiner et al.
ARCHIVES OF MEDICAL SCIENCE (2020)
Targeting the Endocytic Pathway and Autophagy Process as a Novel Therapeutic Strategy in COVID-19
Naidi Yang et al.
INTERNATIONAL JOURNAL OF BIOLOGICAL SCIENCES (2020)
Role of Charge Regulation and Fluctuations in the Conformational and Mechanical Properties of Weak Flexible Polyelectrolytes
Pablo M. Blanco et al.
POLYMERS (2019)
Three Main Inducers of Alphacoronavirus Infection of Enterocytes: Sialic Acid, Proteases, and Low pH
Peng Yuan et al.
INTERVIROLOGY (2018)
Coupling of Charge Regulation and Conformational Equilibria in Linear Weak Polyelectrolytes: Treatment of Long-Range Interactions via Effective Short-Ranged and pH-Dependent Interaction Parameters
Pablo M. Blanco et al.
POLYMERS (2018)
pH-Controlled Two-Step Uncoating of Influenza Virus
Sai Li et al.
BIOPHYSICAL JOURNAL (2014)
From SARS to MERS: crystallographic studies on coronaviral proteases enable antiviral drug design
Rolf Hilgenfeld
FEBS JOURNAL (2014)
Stepwise Priming by Acidic pH and a High K+ Concentration Is Required for Efficient Uncoating of Influenza A Virus Cores after Penetration
Sarah Stauffer et al.
JOURNAL OF VIROLOGY (2014)
Molecular Simulations of a Dynamic Protein Complex: Role of Salt-Bridges and Polar Interactions in Configurational Transitions
Liqun Zhang et al.
BIOPHYSICAL JOURNAL (2013)
A semi-grand canonical Monte Carlo simulation model for ion binding to ionizable surfaces: Proton binding of carboxylated latex particles as a case study
Sergio Madurga et al.
JOURNAL OF CHEMICAL PHYSICS (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)
MolProbity: all-atom structure validation for macromolecular crystallography
Vincent B. Chen et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2010)
Software News and Update AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading
Oleg Trott et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)
On the pH-optimum of activity and stability of proteins
Kemper Talley et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2010)
Improved side-chain torsion potentials for the Amber ff99SB protein force field
Kresten Lindorff-Larsen et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2010)
HIV Enters Cells via Endocytosis and Dynamin-Dependent Fusion with Endosomes
Kosuke Miyauchi et al.
CELL (2009)
Protease-Mediated Entry via the Endosome of Human Coronavirus 229E
Miyuki Kawase et al.
JOURNAL OF VIROLOGY (2009)
Ion binding to polyelectrolytes: Monte Carlo simulations versus classical mean field theories
Sergio Madurga et al.
THEORETICAL CHEMISTRY ACCOUNTS (2009)
Structures of two coronavirus main proteases: Implications for substrate binding and antiviral drug design
Xiaoyu Xue et al.
JOURNAL OF VIROLOGY (2008)
Reversible unfolding of the severe acute respiratory syndrome coronavirus main protease in guanidinium chloride
Hui-Ping Chang et al.
BIOPHYSICAL JOURNAL (2007)
Enzymatic activity of the SARS coronavirus main proteinase dimer
Vito Graziano et al.
FEBS LETTERS (2006)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Very fast empirical prediction and rationalization of protein pKa values
H Li et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2005)
pH-dependent conformational flexibility of the SARS-CoV main proteinase (Mpro) dimer:: Molecular dynamics simulations and multiple X-ray structure analyses
JZ Tan et al.
JOURNAL OF MOLECULAR BIOLOGY (2005)
Enzymatic activity characterization of SARS coronavirus 3C-like protease by fluorescence resonance energy transfer technique
S Chen et al.
ACTA PHARMACOLOGICA SINICA (2005)
3C-like proteinase from SARS coronavirus catalyzes substrate hydrolysis by a general base mechanism
CK Huang et al.
BIOCHEMISTRY (2004)
Biosynthesis, purification, and substrate specificity of severe acute respiratory syndrome coronavirus 3C-like proteinase
KQ Fan et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2004)
The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
HT Yang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2003)
Coronavirus main proteinase (3CLpro) structure:: Basis for design of anti-SARS drugs
K Anand et al.
SCIENCE (2003)
Serine protease mechanism and specificity
L Hedstrom
CHEMICAL REVIEWS (2002)
Conservation of substrate specificities among coronavirus main proteases
A Hegyi et al.
JOURNAL OF GENERAL VIROLOGY (2002)
Diffusion constant of the TIP5P model of liquid water
MW Mahoney et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Share Paper
