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Effective Virtual Screening Strategy toward Covalent Ligands: Identification of Novel NEDD8-Activating Enzyme Inhibitors
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Improved protein–ligand docking using GOLD
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The computer program LUDI: A new method for the de novo design of enzyme inhibitors
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Control of cell proliferation via elevated NEDD8 conjugation in oral squamous cell carcinoma
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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
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Targeted covalent drugs of the kinase family
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Treatment-Emergent Mutations in NAEβ Confer Resistance to the NEDD8-Activating Enzyme Inhibitor MLN4924
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Chemical and Biological Approaches Synergize to Ameliorate Protein-Folding Diseases
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Pharmacophore based virtual screening, molecular docking studies to design potent heat shock protein 90 inhibitors
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Substrate-Assisted Inhibition of Ubiquitin-like Protein-Activating Enzymes: The NEDD8 E1 Inhibitor MLN4924 Forms a NEDD8-AMP Mimetic In Situ
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An inhibitor of NEDD8-activating enzyme as a new approach to treat cancer
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Selective irreversible inhibition of a protease by targeting a noncatalytic cysteine
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Irreversible kinase inhibitors gain traction
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The ubiquitin system for protein degradation and some of its roles in the control of the cell division cycle
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A natural product-like inhibitor of NEDD8-activating enzyme
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Covalent EGFR inhibitor analysis reveals importance of reversible interactions to potency and mechanisms of drug resistance
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Bortezomib for the Treatment of Mantle Cell Lymphoma
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Targeting NEDD8-Activated Cullin-RING Ligases for the Treatment of Cancer
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Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up
inferredcites →https://doi.org/10.1182/blood-2009-11-254862openalex-snapshot
Inhibition of NEDD8-activating enzyme: a novel approach for the treatment of acute myeloid leukemia
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MLN4924, a NEDD8-activating enzyme inhibitor, is active in diffuse large B-cell lymphoma models: rationale for treatment of NF-κB–dependent lymphoma
inferredcites →https://doi.org/10.1517/13543784.2012.707192openalex-snapshot
MLN4924: a novel first-in-class inhibitor of NEDD8-activating enzyme for cancer therapy
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What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Design, Synthesis and in Vitro Antitumor Activity Evaluation of a Novel Neddylation Inhibitor
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Covalent Recruitment of E3 Ligases: A New Path for Rational Design of Protein Degraders
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Docking of Covalent Ligands: Challenges and Approaches
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Accelerating Covalent Drug Discovery: Recent Advances in Covalent Docking Tools
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Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices
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A review on cullin neddylation and strategies to identify its inhibitors for cancer therapy
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Protein Neddylation Beyond Tumor Cells is a Vital Modulator of Anticancer Immunity
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Covalent chemistry in targeted protein degradation
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Anticancer drug discovery by targeting cullin neddylation
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Discovery of the 2,4-disubstituted quinazoline derivative as a novel neddylation inhibitor for tumor therapy
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Discovery of small molecule inhibitors of neddylation catalyzing enzymes for anticancer therapy
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Identification of novel benzothiazole derivatives as inhibitors of NEDDylation pathway to inhibit the progression of gastric cancer
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Discovery of benzothiazole derivatives as novel non-sulfamide NEDD8 activating enzyme inhibitors by target-based virtual screening
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A novel NAE/UAE dual inhibitor LP0040 blocks neddylation and ubiquitination leading to growth inhibition and apoptosis of cancer cells
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Development of novel benzimidazole-derived neddylation inhibitors for suppressing tumor growth in vitro and in vivo
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Innovative design and potential applications of covalent strategy in drug discovery
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GalaxyCDock: Webserver for Covalent Protein–Ligand Binding Mode Prediction
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Virtual screening-guided discovery of thioredoxin reductase inhibitors
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Advanced technologies for screening and identifying covalent inhibitors
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Mechanism-Based and Computational-Driven Covalent Drug Design
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Benchmarking Data Sets for the Evaluation of Virtual Ligand Screening Methods: Review and Perspectives
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Docking Screens for Novel Ligands Conferring New Biology
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Identification of Benzenesulfonamide-Containing Thiazolidine-2,4-Dione Derivatives as Novel Carbonic Anhydrase II and VII Inhibitors with Anti-Epileptic Activity
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Discovery of an Orally Bioavailable Inhibitor of Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation
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Development of Highly Potent, Selective, and Cellular Active Triazolo[1,5-a]pyrimidine-Based Inhibitors Targeting the DCN1–UBC12 Protein–Protein Interaction
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Discovery of a novel NEDD8 Activating Enzyme Inhibitor with Piperidin-4-amine Scaffold by Structure-Based Virtual Screening
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Discovery of Covalent Ligands with AlphaFold3
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Advances in covalent drug discovery
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Identification of a novel selective inhibitor of mutant isocitrate dehydrogenase 1 at allosteric site by docking-based virtual screening
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On-resin Heck coupling enables small-molecule ligand discovery with covalent peptide-encoded libraries
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E1 Enzymes as Therapeutic Targets in Cancer
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Protein neddylation as a therapeutic target: challenges and opportunities
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Targeting NEDD8-activating enzyme for cancer therapy: developments, clinical trials, challenges and future research directions
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Pharmacologic Inhibition of Ubiquitin Activation as a Novel Therapeutic Strategy in Acute Myeloid Leukemia
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Pharmaceutical Inhibition of Neddylation as Promising Treatments for Various Cancers
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Ubiquitination Regulators Discovered by Virtual Screening for the Treatment of Cancer
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Targeting cullin neddylation for cancer and fibrotic diseases
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