ArticleBMC bioinformatics2012
Discovery of a new class of inhibitors for the protein arginine deiminase type 4 (PAD4) by structure-based virtual screening.
Article in BMC bioinformatics, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- Identification of novel PAD2 inhibitors using pharmacophore-based virtual screening, molecular docking, and MD simulation studies.Scientific reports · 2024Article
- The Role of Citrullination Modification in CD4Biomolecules · 2024Review
- Review
- Potential peptidyl arginine deiminase type 4 inhibitors fromIn silico pharmacology · 2023Article
- PAD4 and Its Inhibitors in Cancer Progression and Prognosis.Pharmaceutics · 2022Review
- Inhibition ofSaudi journal of biological sciences · 2022Article
- Inhibition of NETosis for treatment purposes: friend or foe?Molecular and cellular biochemistry · 2022Review
- Citrullination in the pathology of inflammatory and autoimmune disorders: recent advances and future perspectives.Cellular and molecular life sciences : CMLS · 2022Review
- Low-Density Granulocytes in Immune-Mediated Inflammatory Diseases.Journal of immunology research · 2022Review
- PAD4 takes charge during neutrophil activation: Impact of PAD4 mediated NET formation on immune-mediated disease.Journal of thrombosis and haemostasis : JTH · 2021Review
- The Expression of Non-Coding RNAs and Their Target Molecules in Rheumatoid Arthritis: A Molecular Basis for Rheumatoid Pathogenesis and Its Potential Clinical Applications.International journal of molecular sciences · 2021Review
- Neutrophils in the Pathogenesis of Rheumatoid Arthritis and Systemic Lupus Erythematosus: Same Foe Different M.O.Frontiers in immunology · 2021Review
- Chemical biology of protein arginine modifications in epigenetic regulation.Chemical reviews · 2015Review
- Peptidylarginine deiminases in citrullination, gene regulation, health and pathogenesis.Biochimica et biophysica acta · 2013Review
- Advances in translational bioinformatics and population genomics in the Asia-Pacific.BMC genomics · 2012Article
- InCoB2012 Conference: from biological data to knowledge to technological breakthroughs.BMC bioinformatics · 2012Article
Corrections and comments
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Authors and funding
7 authors.
Funding
Abstract
backgroundRheumatoid arthritis (RA) is an autoimmune disease with unknown etiology. Anticitrullinated protein autoantibody has been documented as a highly specific autoantibody associated with RA. Protein arginine deiminase type 4 (PAD4) is the enzyme responsible for catalyzing the conversion of peptidylarginine into peptidylcitrulline. PAD4 is a new therapeutic target for RA treatment. In order to search for inhibitors of PAD4, structure-based virtual screening was performed using LIDAEUS (Ligand discovery at Edinburgh university). Potential inhibitors were screened experimentally by inhibition assays.
resultsTwenty two of the top-ranked water-soluble compounds were selected for inhibitory screening against PAD4. Three compounds showed significant inhibition of PAD4 and their IC50 values were investigated. The structures of the three compounds show no resemblance with previously discovered PAD4 inhibitors, nor with existing drugs for RA treatment.
conclusionThree compounds were discovered as potential inhibitors of PAD4 by virtual screening. The compounds are commercially available and can be used as scaffolds to design more potent inhibitors against PAD4.
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