A Machine Learning Platform for Isoform-Specific Identification and Profiling of Human Carbonic Anhydrase Inhibitors

A Machine Learning Platform for Isoform-Specific Identification and Profiling of Human Carbonic Anhydrase Inhibitors

<b>Background/Objectives:</b> Human carbonic anhydrases (hCAs) are metalloenzymes involved in essential physiological processes, and their selective inhibition holds therapeutic potential across a wide range of disorders. However, the high degree of structural similarity among isoforms p...

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Main Authors: Lisa Piazza, Miriana Di Stefano, Clarissa Poles, Giulia Bononi, Giulio Poli, Gioele Renzi, Salvatore Galati, Antonio Giordano, Marco Macchia, Fabrizio Carta, Claudiu T. Supuran, Tiziano Tuccinardi
Format: Article
Language:English
Published: MDPI AG 2025-07-01
Series:Pharmaceuticals
Subjects:
carbonic anhydrase
isoform selectivity
machine learning
virtual screening
SHAP
drug discovery
Online Access:https://www.mdpi.com/1424-8247/18/7/1007
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