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Molecular Modeling on Pyrimidine-Urea Inhibitors of TNF-α Production: An Integrated Approach Using a Combination of Molecular Docking, Classification Techniques, and 3D-QSAR CoMSIA

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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/art.1780360706openalex-snapshot
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inferredcites →https://doi.org/10.1002/jcc.21848openalex-snapshot
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inferredcites →https://doi.org/10.1006/bbrc.1996.1662openalex-snapshot
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inferredcites →https://doi.org/10.1016/0040-4020(80)80168-2openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.asr.2007.07.020openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmc.2004.04.004openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmcl.2006.03.095openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmcl.2006.03.096openalex-snapshot
Development of N-2,4-pyrimidine-N-phenyl-N′-alkyl ureas as orally active inhibitors of tumor necrosis factor alpha (TNF-α) synthesis. Part 2
inferredcites →https://doi.org/10.1016/j.bmcl.2011.02.110openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.ejmech.2007.03.020openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.ejmech.2007.04.014openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.ejmech.2007.06.009openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.ejmech.2010.11.029openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.ejmech.2010.11.042openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.jmgm.2004.05.001openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.talanta.2010.11.039openalex-snapshot
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inferredcites →https://doi.org/10.1016/s0165-9936(03)00607-1openalex-snapshot
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inferredcites →https://doi.org/10.1021/ci200091hopenalex-snapshot
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inferredcites →https://doi.org/10.1021/je60033a020openalex-snapshot
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Comparative Molecular Similarity Index Analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries
inferredcites →https://doi.org/10.1038/372739a0openalex-snapshot
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inferredcites →https://doi.org/10.1038/nri2094openalex-snapshot
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inferredcites →https://doi.org/10.1038/nsb0497-311openalex-snapshot
A highly specific inhibitor of human p38 MAP kinase binds in the ATP pocket
inferredcites →https://doi.org/10.1056/nejmra032906openalex-snapshot
New Drugs for Rheumatoid Arthritis
inferredcites →https://doi.org/10.1073/pnas.94.6.2327openalex-snapshot
The structure of mitogen-activated protein kinase p38 at 2.1-Å resolution
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Characterization of the Structure and Function of a New Mitogen-activated Protein Kinase (p38β)
inferredcites →https://doi.org/10.1074/jbc.271.44.27696openalex-snapshot
Crystal Structure of p38 Mitogen-activated Protein Kinase
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Characterization of the Structure and Function of the Fourth Member of p38 Group Mitogen-activated Protein Kinases, p38δ
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Interleukin‐10 targets p38 MAPK to modulate ARE‐dependent TNF mRNA translation and limit intestinal pathology
inferredcites →https://doi.org/10.1111/j.1600-065x.1999.tb01315.xopenalex-snapshot
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inferredcites →https://doi.org/10.1111/j.1747-0285.2010.01029.xopenalex-snapshot
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Mitogen-Activated Protein Kinase Pathways Mediated by ERK, JNK, and p38 Protein Kinases
inferredcites →https://doi.org/10.1136/ard.58.2008.i32openalex-snapshot
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The Role of TNF/TNFR in Organ-Specific and Systemic Autoimmunity: Implications for the Design of Optimized 'Anti-TNF� Therapies
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inferredcites →https://doi.org/10.1517/17460441.2011.588696openalex-snapshot
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inferredcites →https://doi.org/10.2165/00003495-199855050-00001openalex-snapshot
The Future Role of Anti-Tumour Necrosis Factor (TNF) Products in the Treatment of Rheumatoid Arthritis
inferredcites →https://doi.org/10.2165/00063030-200317020-00004openalex-snapshot
Inhibitors of p38 Mitogen-Activated Protein Kinase
inferredcites →https://doi.org/10.2174/092986705774462914openalex-snapshot
MAP Kinase p38Inhibitors: Clinical Results and an Intimate Look at Their Interactions with p38α Protein
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inferredcites →https://doi.org/10.2174/138955706777934982openalex-snapshot
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inferredcites →https://doi.org/10.4155/fmc.11.53openalex-snapshot
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inferred← citeshttps://doi.org/10.2174/221135251401160302120554openalex-snapshot
QSAR as a Random Event: Selecting of the Molecular Structure for Potential Anti-tuberculosis Agents
inferred← citeshttps://doi.org/10.3109/14756366.2014.1003925openalex-snapshot
Searching for anthranilic acid-based thumb pocket 2 HCV NS5B polymerase inhibitors through a combination of molecular docking, 3D-QSAR and virtual screening
inferred← citeshttps://doi.org/10.3389/fmolb.2023.1164349openalex-snapshot
3D- and 2D-QSAR models’ study and molecular docking of novel nitrogen-mustard compounds for osteosarcoma
inferred← citeshttps://doi.org/10.3389/fphar.2023.1177282openalex-snapshot
2D, 3D-QSAR study and docking of vascular endothelial growth factor receptor 3 (VEGFR3) inhibitors for potential treatment of retinoblastoma
inferred← citeshttps://doi.org/10.3389/fphar.2023.1249041openalex-snapshot
Exploration of 2D and 3D-QSAR analysis and docking studies for novel dihydropteridone derivatives as promising therapeutic agents targeting glioblastoma
inferred← citeshttps://doi.org/10.3389/fphar.2025.1545791openalex-snapshot
3D-QSAR, design, molecular docking and dynamics simulation studies of novel 6-hydroxybenzothiazole-2-carboxamides as potentially potent and selective monoamine oxidase B inhibitors
inferred← citeshttps://doi.org/10.3390/ijms150915475openalex-snapshot
Profiling the Interaction Mechanism of Quinoline/Quinazoline Derivatives as MCHR1 Antagonists: An in Silico Method
inferred← citeshttps://doi.org/10.4155/fmc-2017-0037openalex-snapshot
Oxindole-Based Syk and Jak3 Dual Inhibitors for Rheumatoid Arthritis: Designing, Synthesis and Biological Evaluation
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