Computational 3D Modeling-Based Identification of Inhibitors Targeting Cysteine Covalent Bond Cataly...
Computational 3D Modeling-Based Identification of Inhibitors Targeting Cysteine Covalent Bond Catalysts for JAK3 and CYP3A4 Enzymes in the Treatment of Rheumatoid Arthritis
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Switzerland: MDPI AG
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Language
English
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Switzerland: MDPI AG
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This work aimed to find new inhibitors of the CYP3A4 and JAK3 enzymes, which are significant players in autoimmune diseases such as rheumatoid arthritis. Advanced computer-aided drug design techniques, such as pharmacophore and 3D-QSAR modeling, were used. Two strong 3D-QSAR models were created, and their predictive power was validated by the stron...
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Computational 3D Modeling-Based Identification of Inhibitors Targeting Cysteine Covalent Bond Catalysts for JAK3 and CYP3A4 Enzymes in the Treatment of Rheumatoid Arthritis
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TN_cdi_doaj_primary_oai_doaj_org_article_b62d12261ed54b84a571e61c0f8aa3b9
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_b62d12261ed54b84a571e61c0f8aa3b9
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ISSN
1420-3049
E-ISSN
1420-3049
DOI
10.3390/molecules29010023
