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The Growing Importance of Chirality in 3D Chemical Space Exploration and Modern Drug Discovery Approaches for Hit-ID: Topical Innovations

ACS medicinal chemistry letters, 2021-08, Vol.12 (8), p.1220-1229 [Peer Reviewed Journal]

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Title:
The Growing Importance of Chirality in 3D Chemical Space Exploration and Modern Drug Discovery Approaches for Hit-ID: Topical Innovations
Author: Silvestri, Ilaria Proietti ; Colbon, Paul J. J
Subjects: Innovations
Is Part Of: ACS medicinal chemistry letters, 2021-08, Vol.12 (8), p.1220-1229
Description: Modern-day drug discovery is now blessed with a wide range of high-throughput hit identification (hit-ID) strategies that have been successfully validated in recent years, with particular success coming from high-throughput screening, fragment-based lead discovery, and DNA-encoded library screening. As screening efficiency and throughput increases, this enables the viable exploration of increasingly complex three-dimensional (3D) chemical structure space, with a realistic chance of identifying highly specific hit ligands with increased target specificity and reduced attrition rates in preclinical and clinical development. This minireview will explore the impact of an improved design of multifunctionalized, sp3-rich, stereodefined scaffolds on the (virtual) exploration of 3D chemical space and the specific requirements for different hit-ID technologies.
Publisher: United States: American Chemical Society
Language: English
Identifier: ISSN: 1948-5875
EISSN: 1948-5875
DOI: 10.1021/acsmedchemlett.1c00251
PMID: 34413951
Source: GFMER Free Medical Journals
PubMed Central

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