Integrative lipophilicity assessment and pharmacokinetic correlation of pyrimidine precursors and artesunate–pyrimidine hybrids: development of QSAR models for anticancer activity and interaction with <i>P</i> -glycoprotein
Lipophilicity and steric/electronic descriptors govern distribution, protein binding, and anticancer activity. Integrating these features enables design of hybrids overcoming <i>P</i>-gp-mediated multidrug resistance, with hybrid 4k emerging as a promising candidate.
Authors
- Ljiljana Koračak (ORCID: https://orcid.org/0000-0003-4892-1290)
- Mirjana D. Mosić (ORCID: https://orcid.org/0000-0002-7881-7200)
- Marija Grozdanić (ORCID: https://orcid.org/0009-0007-7425-685X)
- Milica Pešić (ORCID: https://orcid.org/0000-0002-9045-8239)
- Nataša Terzić
- Sandra B. Šegan (ORCID: https://orcid.org/0000-0003-1204-5487)
Institutions
- University of Belgrade (RS)
- Institute of Physics Belgrade (RS)
- Innovative Research (United States) (US)
Publication Details
- Journal
- Future Medicinal Chemistry
- Published
- 2025-12-13
- DOI
- https://doi.org/10.1080/17568919.2025.2602963
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00