biostudies-literaturePietrus WNational Science Centre, PolandNational Science Center, Poland3531https://www.ebi.ac.uk/biostudies/studies/S-EPMC10145010biostudies-literatureUnknown28(8)As a member of the class I PI3K family, phosphoinositide 3-kinase <i>δ</i> (PI3K<i>δ</i>) is an important signaling biomolecule that controls immune cell differentiation, proliferation, migration, and survival. It also represents a potential and promising therapeutic approach for the management of numerous inflammatory and autoimmune diseases. We designed and assessed the biological activity of new fluorinated analogues of CPL302415, taking into account the therapeutic potential of our selective PI3K inhibitor and fluorine introduction as one of the most frequently used modifications of a lead compound to further improve its biological activity. In this paper, we compare and evaluate the accuracy of our previously described and validated in silico workflow with that of the standard (rigid)Molecules (Basel, Switzerland)Tuning the Biological Activity of PI3K<i>δ</i> Inhibitor by the Introduction of a Fluorine Atom Using the Computational Workflow.PMC101450102019/35/N/NZ7/04312Banach MDubiel KKurczab RWieczorek MLeniak AZagozda MMaruszak WOchal ZGurba-Bryskiewicz LPietrus WStypik MfalseTuning the Biological Activity of PI3K<i>δ</i> Inhibitor by the Introduction of a Fluorine Atom Using the Computational Workflow.As a member of the class I PI3K family, phosphoinositide 3-kinase <i>δ</i> (PI3K<i>δ</i>) is an important signaling biomolecule that controls immune cell differentiation, proliferation, migration, and survival. It also represents a potential and promising therapeutic approach for the management of numerous inflammatory and autoimmune diseases. We designed and assessed the biological activity of new fluorinated analogues of CPL302415, taking into account the therapeutic potential of our selective PI3K inhibitor and fluorine introduction as one of the most frequently used modifications of a lead compound to further improve its biological activity. In this paper, we compare and evaluate the accuracy of our previously described and validated in silico workflow with that of the standard (rigid)2023-01-01T00:00:00Z2023 Apr2026-04-08T13:33:56.246Z2024-11-09T20:46:58.345ZS-EPMC101450103711076410.3390/molecules28083531