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Docking and 3D-QSAR Studies on Isatin Sulfonamide Analogues as Caspase-3 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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Conformational restrictions in the active site of unliganded human caspase‐3
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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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Synthesis, radiolabeling, and in vivo evaluation of an 18F-labeled isatin analog for imaging caspase-3 activation in apoptosis
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A Novel nonpeptidic caspase-3/7 inhibitor, (S)-(+)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin reduces myocardial ischemic injury
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Potent and Selective Nonpeptide Inhibitors of Caspases 3 and 7
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Lessons in Molecular Recognition: The Effects of Ligand and Protein Flexibility on Molecular Docking Accuracy
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Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis
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N-Benzylisatin Sulfonamide Analogues as Potent Caspase-3 Inhibitors: Synthesis, in Vitro Activity, and Molecular Modeling Studies
inferredcites →https://doi.org/10.1021/jm070506topenalex-snapshot
Isatin Sulfonamide Analogs Containing a Michael Addition Acceptor: A New Class of Caspase 3/7 Inhibitors
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Synthesis and in Vitro Evaluation of Sulfonamide Isatin Michael Acceptors as Small Molecule Inhibitors of Caspase-6
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Three-Dimensional Quantitative Structure−Activity Relationship of Interleukin 1-β Converting Enzyme Inhibitors: A Comparative Molecular Field Analysis Study
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Rational selection of training and test sets for the development of validated QSAR models
inferredcites →https://doi.org/10.1038/82741openalex-snapshot
Caspase inhibitors improve survival in sepsis: a critical role of the lymphocyte
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Emerging roles of caspase-3 in apoptosis
inferredcites →https://doi.org/10.1042/bj20041142openalex-snapshot
The protein structures that shape caspase activity, specificity, activation and inhibition
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Inhibition of Human Caspases by Peptide-based and Macromolecular Inhibitors
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Potent and Selective Nonpeptide Inhibitors of Caspases 3 and 7 Inhibit Apoptosis and Maintain Cell Functionality
inferredcites →https://doi.org/10.1093/protein/8.2.127openalex-snapshot
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Apoptosis in the Pathogenesis and Treatment of Disease
inferredcites →https://doi.org/10.2174/092986707781058814openalex-snapshot
Whither Combine? New Opportunities for Receptor-Based QSAR
inferredcites →https://doi.org/10.2174/092986707781745569openalex-snapshot
Apoptosis: Potential Therapeutic Targets for New Drug Discovery
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Innovative Strategies in In Vivo Apoptosis Imaging
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Development of Quantitative Structure-Activity Relationships and Its Application in Rational Drug Design
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Predictive QSAR Modeling Workflow, Model Applicability Domains, and Virtual Screening
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Quantitative structure–activity relationship study using genetic algorithm–enhanced replacement method combined with molecular docking studies of isatin derivatives as inhibitors of human transglutaminase 2
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5-(2-Carboxyethenyl) isatin derivative induces G2/M cell cycle arrest and apoptosis in human leukemia K562 cells
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New description of protein–ligand interactions using a spherical self-organizing map
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Synthesis of new fluorinated, 2-substituted 5-pyrrolidinylsulfonyl isatin derivatives as caspase-3 and caspase-7 inhibitors: Nonradioactive counterparts of putative PET-compatible apoptosis imaging agents
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Synthesis and evaluation of isatin analogs as caspase-3 inhibitors: Introduction of a hydrophilic group increases potency in a whole cell assay
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Design, synthesis and in vitro cytotoxicity evaluation of 5-(2-carboxyethenyl)isatin derivatives as anticancer agents
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Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding
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Synthesis and anti-cancer activity evaluation of 5-(2-carboxyethenyl)-isatin derivatives
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A new class of fluorinated 5-pyrrolidinylsulfonyl isatin caspase inhibitors for PET imaging of apoptosis
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Design and synthesis of new curcumin analogues as hepatoprotectives and antioxidants in liver dysfunction through caspase-3 regulation
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Docking Study on Caspase 3 Inhibitors As Potential Drugs For Traumatic Brain Cell Apoptosis
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Isatin Sulfonamides: Potent Caspases-3 and -7 Inhibitors, and Promising PET and SPECT Radiotracers for Apoptosis Imaging
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