Fragment-based drug design: Strategic advances and lessons learned

H. Chen; X. Zhou; Y. Gao; H. Chen; J. Zhou

doi:10.1016/B978-0-12-409547-2.12319-4

Fragment-based drug design: Strategic advances and lessons learned

H. Chen, X. Zhou, Y. Gao, H. Chen, J. Zhou

Research output: Chapter in Book/Report/Conference proceeding › Chapter

3 Scopus citations

Abstract

Over the past two decades, high-throughput screening (HTS) has played a vital role in discovering new chemical leads. Due to the inherent defects and limitations associated with HTS, there exist high attrition rates. Fragment-based drug discovery (FBDD) has emerged as an efficient method to construct leads from weak-affinity fragments, which involves detecting weak fragment-target protein interactions using fragment-based screening (FBS) approaches. In this article, we discuss various FBS assays, compare their advantages and disadvantages, and stress the core principle of orthogonal validation and lead generation. The strategic advances in FBDD and lessons learned from success cases are also presented.

Original language	English (US)
Title of host publication	Drug Discovery Technologies
Publisher	Elsevier Inc.
Pages	212-232
Number of pages	21
Volume	2-8
ISBN (Electronic)	9780128032008
ISBN (Print)	9780128032015
DOIs	https://doi.org/10.1016/B978-0-12-409547-2.12319-4
State	Published - Jun 3 2017
Externally published	Yes

Keywords

Drug discovery
Fragment evolution
Fragment optimization
Fragment self-assembly
Fragment-based drug design
Fragment-based drug discovery
Fragment-based screening
Fragments
High-throughput screening
Ligand efficiency
Ligand-target interactions
Rational drug design
Structure-based drug design
Therapeutic agents

ASJC Scopus subject areas

General Chemistry

Access to Document

10.1016/B978-0-12-409547-2.12319-4

Cite this

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AU - Zhou, X.

AU - Gao, Y.

AU - Chen, H.

AU - Zhou, J.

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KW - Drug discovery

KW - Fragment evolution

KW - Fragment optimization

KW - Fragment self-assembly

KW - Fragment-based drug design

KW - Fragment-based drug discovery

KW - Fragment-based screening

KW - Fragments

KW - High-throughput screening

KW - Ligand efficiency

KW - Ligand-target interactions

KW - Rational drug design

KW - Structure-based drug design

KW - Therapeutic agents

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ER -

Fragment-based drug design: Strategic advances and lessons learned

Abstract

Keywords

ASJC Scopus subject areas

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