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Updated: May 14, 2026

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery
Published on: May 16, 2021
Incorporation of rapid thermodynamic data in fragment-based drug discovery
Akihiro Kobe1, Jose M M Caaveiro, Shinya Tashiro
1Institute of Medical Science, The University of Tokyo, Tokyo 108-8639, Japan.
Abstract:
Fragment-based drug discovery (FBDD) has enjoyed increasing popularity in recent years. We introduce SITE (single-injection thermal extinction), a novel thermodynamic methodology that selects high-quality hits early in FBDD. SITE is a fast calorimetric competitive assay suitable for automation that captures the essence of isothermal titration calorimetry but using significantly fewer resources. We describe the principles of SITE and identify a novel family of fragment inhibitors of the enzyme ketosteroid isomerase displaying high values of enthalpic efficiency.
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