Structure-based discovery of dengue virus protease inhibitors.

No abstract is available for this paper.

• Publication year

  2009

• Venue

  Antiviral Research

• Publication date

  2009-06-01

• Fields of study

  Biology, Medicine, Chemistry

• Identifiers
  DOI 10.1016/j.antiviral.2009.02.190PMID 19428601PMCID PMC2680748
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Molecular targets for flavivirus drug discovery.

  2009cited by this paper
• Dengue virus NS3 serine protease. Crystal structure and insights into interaction of the active site with substrates by molecular modeling and structural analysis of mutational effects.

  2009influential reference
• Dengue and hemorrhagic fever: a potential threat to public health in the United States.

  2008influential reference
• EUDOC on the IBM Blue Gene/L system: Accelerating the transfer of drug discoveries from laboratory to patient

  2008cited by this paper
• Accurate Reproduction of 161 Small-Molecule Complex Crystal Structures using the EUDOC Program: Expanding the Use of EUDOC to Supramolecular Chemistry

  2007cited by this paper
• Dengue hemorrhagic Fever caused by sequential dengue 1-3 virus infections over a long time interval: Havana epidemic, 2001-2002.

  2006cited by this paper
• Peptide inhibitors of dengue virus NS3 protease. Part 2: SAR study of tetrapeptide aldehyde inhibitors.

  2006cited by this paper
• Structural basis for the activation of flaviviral NS3 proteases from dengue and West Nile virus

  2006cited by this paper
• Peptide inhibitors of Dengue virus NS3 protease. Part 1: Warhead.

  2006cited by this paper
• Identification and characterization of nonsubstrate based inhibitors of the essential dengue and West Nile virus proteases.

  2005cited by this paper
• Competitive inhibition of the dengue virus NS3 serine protease by synthetic peptides representing polyprotein cleavage sites.

  2005cited by this paper
• Structure-based generation of viable leads from small combinatorial libraries.

  2004cited by this paper
• A Structural Basis for the Inhibition of the NS5 Dengue Virus mRNA 2′-O-Methyltransferase Domain by Ribavirin 5′-Triphosphate*

  2004cited by this paper
• Neutralization and antibody-dependent enhancement of dengue viruses.

  2003cited by this paper
• Combinatorial Library Design and Evaluation: Principles, Software Tools and Applications in Drug Discovery

  2002cited by this paper
• Principles of Membrane Transport

  2002influential reference
• Activity of Recombinant Dengue 2 Virus NS3 Protease in the Presence of a Truncated NS2B Co-factor, Small Peptide Substrates, and Inhibitors*

  2001cited by this paper
• EUDOC: a computer program for identification of drug interaction sites in macromolecules and drug leads from chemical databases

  2001cited by this paper
• Perspectives for the treatment of infections with Flaviviridae.

  2000cited by this paper
• Purified NS2B/NS3 Serine Protease of Dengue Virus Type 2 Exhibits Cofactor NS2B Dependence for Cleavage of Substrates with Dibasic Amino Acids in Vitro*

  2000cited by this paper
• Crystal structure of Dengue virus NS3 protease in complex with a Bowman-Birk inhibitor: implications for flaviviral polyprotein processing and drug design.

  2000influential reference
• Dengue Virus NS3 Serine Protease

  1999cited by this paper
• Dengue virus NS3 serine protease. Crystal structure and insights into interaction of the active site with substrates by molecular modeling and structural analysis of mutational effects.

  1999cited by this paper
• SWISS‐MODEL and the Swiss‐Pdb Viewer: An environment for comparative protein modeling

  1997cited by this paper
• Both nonstructural proteins NS2B and NS3 are required for the proteolytic processing of dengue virus nonstructural proteins

  1991cited by this paper
• Evidence that the N-terminal domain of nonstructural protein NS3 from yellow fever virus is a serine protease responsible for site-specific cleavages in the viral polyprotein.

  1990influential reference
• Detection of a trypsin-like serine protease domain in flaviviruses and pestiviruses.

  1989cited by this paper
• Use of MTT colorimetric assay to measure cell activation.

  1986cited by this paper
• Rapid colorimetric assay for cellular growth and survival: application to proliferation and cytotoxicity assays.

  1983cited by this paper
• Observations related to the pathogenesis of dengue hemorrhagic fever. II. Antigenic and biologic properties of dengue viruses and their association with disease response in the host.

  1970cited by this paper
• Research on dengue during World War II.

  1952cited by this paper

• i-DENV: development of QSAR based regression models for predicting inhibitors targeting non-structural (NS) proteins of dengue virus

  2025cites this paper
• Establishment of a Stable BK Polyomavirus-Secreting Cell Line: Characterization of Viral Genome Integration and Replication Dynamics Through Comprehensive Analysis

  2025cites this paper
• The endoplasmic reticulum (ER): a crucial cellular hub in flavivirus infection and potential target site for antiviral interventions

  2024cites this paper
• Proteases: Role in Various Human Diseases.

  2024cites this paper
• Metabolites from Cinnamomum subavenium with Anti-Dengue Virus Activity

  2024cites this paper
• Inhibition of NS2B-NS3 protease from all four serotypes of dengue virus by punicalagin, punicalin and ellagic acid identified from Punica granatum

  2024cites this paper
• Exploring the therapeutic potential of DV-B-120 as an inhibitor of dengue virus infection

  2024cites this paper
• Dengue virus pathogenesis and host molecular machineries

  2024cites this paper
• Discovery of Potent Dengue Virus NS2B-NS3 Protease Inhibitors Among Glycyrrhizic Acid Conjugates with Amino Acids and Dipeptides Esters

  2024cites this paper
• Identification of novel and potential inhibitors against the dengue virus NS2B/NS3 protease using virtual screening and biomolecular simulations.

  2024cites this paper
• Indole Derivatives as Promising Anti‐Dengue Agents: A Review of Recent Advances

  2024cites this paper
• Transitioning from Crisis to Control: Reviewing Antiviral Agents Targeting Pandemic Viruses

  2024cites this paper
• Dengue virus: pathogenesis and potential for small molecule inhibitors

  2024cites this paper
• Recent advances in the development of methyltransferase (MTase) inhibitors against (re)emerging arboviruses diseases dengue and Zika.

  2023cites this paper
• Metabolites from Alpinia zerumbet with Anti-Dengue Virus Activity

  2023cites this paper
• Exploring allosteric hits of the NS2B-NS3 protease of DENV2 by structure-guided screening

  2023cites this paper
• Malacitanolide, reissantin E and paclitaxel compounds as inhibitors of envelope, NS5 and NS2B/NS3 target proteins of dengue virus: Computational docking and molecular dynamics simulations studies

  2023cites this paper
• Finding Lead Compounds for Dengue Antivirals from a Collection of Old Drugs through In Silico Target Prediction and Subsequent In Vitro Validation

  2023cites this paper
• Molecular Mechanisms of Antiviral Agents against Dengue Virus

  2023cites this paper
• PreS/MD: Predictor of Sensitization hazard for chemical substances released from Medical Devices.

  2022cites this paper
• Structures and Dynamics of Dengue Virus Nonstructural Membrane Proteins

  2022cites this paper
• PreSS/MD: Predictor of Skin Sensitization Caused by Chemicals Leaching from Medical Devices

  2022cites this paper
• Glycyrrhizic Acid Derivatives Bearing Amino Acid Residues in the Carbohydrate Part as Dengue Virus E Protein Inhibitors: Synthesis and Antiviral Activity

  2022cites this paper
• Design, Synthesis, and in-vitro Protease Inhibition Assay of Linear Pentapeptides as Potential Dengue Virus NS2B/NS3 Protease Inhibitors.

  2022cites this paper
• An in-silico pharmacophore-based molecular docking study to evaluate the inhibitory potentials of novel fungal triterpenoid Astrakurkurone analogues against a hypothetical mutated main protease of SARS-CoV-2 virus

  2022cites this paper
• Journal Pre-proof An in-silico pharmacophore-based molecular docking study to evaluate the inhibitory potentials of novel fungal triterpenoid Astrakurkurone analogues against a hypothetical mutated main protease of SARS-CoV-2 virus

  2022cites this paper
• A review on structural genomics approach applied for drug discovery against three vector-borne viral diseases: Dengue, Chikungunya and Zika

  2022cites this paper
• Diterpenes/Diterpenoids and Their Derivatives as Potential Bioactive Leads against Dengue Virus: A Computational and Network Pharmacology Study

  2021cites this paper
• Identification of Dengue NS2B-NS3 Protease Inhibitors Through High-Throughput Virtual Screening—Impacts on Drug Development Against the Dengue Virus

  2021cites this paper
• Amidoxime prodrugs convert to potent cell-active multimodal inhibitors of the dengue virus protease.

  2021cites this paper
• Beyond Basicity: Discovery of Nonbasic DENV-2 Protease Inhibitors with Potent Activity in Cell Culture.

  2021cites this paper
• Identification of lactoferrin-derived peptides as potential inhibitors against the main protease of SARS-CoV-2

  2021cites this paper
• A short survey of dengue protease inhibitor development in the past 6 years (2015–2020) with an emphasis on similarities between DENV and SARS-CoV-2 proteases

  2021cites this paper
• Peanut Bowman-Birk Type Inhibitor

  2021cites this paper
• Inhibition of Protease of Novel Corona Virus by Designed Noscapines: Molecular Docking and ADMET Studies

  2020influential citation
• Identification of potential inhibitors for targets involved in Dengue fever.

  2020cites this paper
• A New Class of Dengue and West Nile Virus Protease Inhibitors With Submicromolar Activity in Reporter Gene DENV-2 Protease and Viral Replication Assays.

  2020cites this paper
• A Targeted Computational Screen of the SWEETLEAD Database Reveals FDA-Approved Compounds with Anti-Dengue Viral Activity

  2020cites this paper
• An experimental and theoretical approach to understand Fever, DENF & its cure.

  2020cites this paper
• Generation of a reporter yellow fever virus for high throughput antiviral assays

  2020cites this paper
• Recent advances in antiviral drug development towards dengue virus.

  2020cites this paper
• Structure Based Identification of Potential Inhibitors of NS3 Protein of Zika Virus

  2019cites this paper
• In silico drug repurposing for the identification of potential candidate molecules against arboviruses infection.

  2019cites this paper
• Dengue Virus Polymerase

  2019cites this paper
• Plant and marine products: a promising hope in the search of therapeutics against dengue

  2019cites this paper
• Chirality-Induced Variation in Interaction of Two Similar Copper(II) Coordination Polymers with Calf Thymus DNA: Exploration of Their Antimicrobial Activity and Cytotoxicity

  2018cites this paper
• Dengue Virus Polymerase: A Crucial Target for Antiviral Drug Discovery

  2018cites this paper
• Targeting intramolecular proteinase NS2B/3 cleavages for trans-dominant inhibition of dengue virus

  2018cites this paper
• Discovery of Dengue Virus Inhibitors.

  2018cites this paper
• Dengue Virus and Its Inhibitors: A Brief Review.

  2018cites this paper
• ANTIVIRAL ACTIVITY OF COPPER(II)CHLORIDE DIHYDRATE AGAINST DENGUE VIRUS TYPE-2 IN VERO CELL

  2017cites this paper
• Inhibition of dengue virus replication by novel inhibitors of RNA-dependent RNA polymerase and protease activities

  2017cites this paper
• Pharmacophore anchor models of flaviviral NS3 proteases lead to drug repurposing for DENV infection

  2017cites this paper
• The flavivirus capsid protein: Structure, function and perspectives towards drug design.

  2017cites this paper
• A conformational switch high-throughput screening assay and allosteric inhibition of the flavivirus NS2B-NS3 protease

  2017cites this paper
• 3D-QSAR pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation toward identifying lead compounds for NS2B–NS3 protease inhibitors

  2017cites this paper
• Flavivirus NS2B/NS3 Protease: Structure, Function, and Inhibition

  2017cites this paper
• Identification of dengue viral RNA-dependent RNA polymerase inhibitor using computational fragment-based approaches and molecular dynamics study

  2016cites this paper
• Ethyl 4-(4-methylphenyl)-4-pentenoate from Vetiveria zizanioides Inhibits Dengue NS2B–NS3 Protease and Prevents Viral Assembly: A Computational Molecular Dynamics and Docking Study

  2016cites this paper
• Discovery of Novel Dengue NS2B/NS3 Protease Inhibitors Using Pharmacophore Modeling and Molecular Docking Based Virtual Screening of the ZINC Database

  2016cites this paper
• Human heme oxygenase 1 is a potential host cell factor against dengue virus replication

  2016cites this paper
• Varying structural motifs in the salen based metal complexes of Co(ii), Ni(ii) and Cu(ii): synthesis, crystal structures, molecular dynamics and biological activities.

  2016cites this paper
• Progress and prospects on DENV protease inhibitors.

  2016cites this paper
• Cracking the code of chikungunya virus : inhibitors as tools to explore alphavirus biology

  2016cites this paper
• Computational Assessment of Inhibitory Activity of Acridone, Xanthone and Flavone Derivatives against NS2B/NS3pro of Dengue Virus Type 2

  2016cites this paper
• Binding specificity of polypeptide substrates in NS2B/NS3pro serine protease of dengue virus type 2: A molecular dynamics Study.

  2015cites this paper
• Policresulen, a novel NS2B/NS3 protease inhibitor, effectively inhibits the replication of DENV2 virus in BHK-21 cells

  2015cites this paper
• Identification of a Pyridoxine-Derived Small-Molecule Inhibitor Targeting Dengue Virus RNA-Dependent RNA Polymerase

  2015cites this paper
• Structure‐guided Discovery of a Novel Non‐peptide Inhibitor of Dengue Virus NS2B–NS3 Protease

  2015cites this paper
• Antiviral activities of 15 dengue NS2B-NS3 protease inhibitors using a human cell-based viral quantification assay.

  2015cites this paper
• Allosteric pocket of the dengue virus (serotype 2) NS2B/NS3 protease: In silico ligand screening and molecular dynamics studies of inhibition.

  2014cites this paper
• Identification of a Novel Inhibitor of Dengue Virus Protease through Use of a Virtual Screening Drug Discovery Web Portal

  2014cites this paper
• Binding mode of the activity‐modulating C‐terminal segment of NS2B to NS3 in the dengue virus NS2B–NS3 protease

  2014cites this paper
• Recent advances in the development of antiviral agents using computer-aided structure based approaches.

  2014cites this paper
• Targeting Host Factors to Treat West Nile and Dengue Viral Infections

  2014cites this paper
• Biochemistry and medicinal chemistry of the dengue virus protease.

  2014cites this paper
• Drugs for dengue: a patent review (2010 – 2014)

  2014cites this paper
• NS2B-NS3pro como Alvo Molecular para o Desenvolvimento de Fármacos contra Dengue

  2014cites this paper
• Recent Advances in Targeting Dengue and West Nile Virus Proteases Using Small Molecule Inhibitors

  2014cites this paper
• A small compound targeting the interaction between nonstructural proteins 2B and 3 inhibits dengue virus replication.

  2013cites this paper
• Lyso-myristoyl phosphatidylcholine micelles sustain the activity of Dengue non-structural (NS) protein 3 protease domain fused with the full-length NS2B.

  2013cites this paper
• A Novel Transport Mechanism for MOMP in Chlamydophila pneumoniae and Its Putative Role in Immune-Therapy

  2013cites this paper
• Therapeutic Considerations for Middle East Respiratory Syndrome Coronavirus

  2013cites this paper
• High Content Screening of a Kinase-Focused Library Reveals Compounds Broadly-Active against Dengue Viruses

  2013cites this paper
• New Binding Site Conformations of the Dengue Virus NS3 Protease Accessed by Molecular Dynamics Simulation

  2013cites this paper
• A straightforward experimental approach to expression, purification, refolding, and enzymatic analysis of recombinant dengue virus NS2B(H)-NS3pro protease

  2013cites this paper
• The flavivirus protease as a target for drug discovery

  2013cites this paper
• A Novel Dengue Virus Inhibitor, BP13944, Discovered by High-Throughput Screening with Dengue Virus Replicon Cells Selects for Resistance in the Viral NS2B/NS3 Protease

  2013cites this paper
• Characterization of an efficient dengue virus replicon for development of assays of discovery of small molecules against dengue virus.

  2013cites this paper
• Design, synthesis and characterization of novel 1,2-benzisothiazol-3(2H)-one and 1,3,4-oxadiazole hybrid derivatives: potent inhibitors of Dengue and West Nile virus NS2B/NS3 proteases.

  2013cites this paper
• Ten years of dengue drug discovery: progress and prospects.

  2013cites this paper
• Dengue virus and West Nile virus protease inhibitors

  2013cites this paper
• Therapeutic Considerations for Middle East Respiratory Syndrome

  2013cites this paper
• Rational Prediction with Molecular Dynamics for Hit Identification

  2012cites this paper
• Transplantation of a hydrogen bonding network from West Nile virus protease onto Dengue-2 protease improves catalytic efficiency and sheds light on substrate specificity.

  2012cites this paper
• into the brain causing lethal encephalitis.

  2012cites this paper
• Ferramentas virtuais contra doenças tropicais : dengue e doença de chagas como alvos

  2012cites this paper
• Structural biology of dengue virus enzymes: towards rational design of therapeutics.

  2012cites this paper
• Discovery and optimization of 2,4-diaminoquinazoline derivatives as a new class of potent dengue virus inhibitors.

  2012cites this paper
• Protein bioinformatics applied to virology.

  2012cites this paper