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Marija R. Popović-Nikolić

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Open access 2026

Chemoinformatics study of HDAC3 and HDAC6 inhibitors

The potential of integrated computational approaches to guide the rational design of selective HDAC inhibitors for future epigenetic therapies is demonstrated, and distinct structure-activity relationships between the two isoforms are revealed.

A. Cebzan, A. Ilic, M. Popović-Nikolić et al. · 0 citations
Open access Aug 2026

A Computational Framework for the Design and Development of Isoform Selective PI3Kα Inhibitors as Novel Anticancer Agents

A comprehensive CADD framework for the rational design of selective PI3Kα inhibitors is established and new compounds with improved predicted selectivity profiles for further development are provided.

Milan Jovanović, Teodora Djikic-Stojsic, B. Stanković et al. · 0 citations

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