Design, Modular Synthesis and Screening of 58 Shape-Diverse 3-D Fragments

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This is a Experimental Study study.

Thomas D. Downes; Simon Jones; James D. Firth; J.F. Darby; Amelia K. Gilio; Hanna F. Klein; X. Wang; David C. Blakemore; Claudia De Fusco; Stephen D. Roughley; Lewis R. Vidler; Maria Ann Whatton; Alison J.‐A. Woolford; Gail L. Wrigley; Roderick E. Hubbard; G.J. Davies; Peter O’Brien; Liang Wu

doi:10.1039/d5sc05819h

Key Points

The study identifies a novel method for creating a library of 3-D fragments for drug discovery.
58 distinct 3-D fragments were designed and synthesized, demonstrating a shape-diverse approach to drug discovery.
Using fragment-based drug discovery, the library was screened to enhance the efficacy of potential drug candidates.
The results may significantly influence future directions in fragment library design and screening methodologies.

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Implication

Modular synthesis and screening of diverse fragment libraries may enhance early-stage drug discovery efforts.

Abstract

Fragment-based drug discovery is widely used in both academia and industry during the early stages of drug discovery. There is a growing interest in the design of 3-D fragments for...

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Cite This Study

Downes et al. (2025) studied this question.

synapsesocial.com/papers/68d469c131b076d99fa66581 https://doi.org/10.1039/d5sc05819h

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Design, Modular Synthesis and Screening of 58 Shape-Diverse 3-D Fragments

Key Points

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Implication

Abstract

Discussion

Cite This Study

Design, Modular Synthesis and Screening of 58 Shape-Diverse 3-D Fragments

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

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