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S. Gemma

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Jun 2026

Integrated structure-based and fragment-guided design of isonicotinic acid derivatives as potential KDM4A inhibitors: an insilico study

A structure-based virtual screening workflow was implemented to optimize the known KDM4A inhibitor QC6352 and design novel isonicotinic acid derivatives with improved predicted binding affinity and dynamic stability and introduces promising scaffolds for KDM4A-targeted drug design.

Kourosh Eslami, Hajar Sirous, Ilaria Cursaro et al. · 1 citation