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Use of structure-based drug design approaches to obtain novel anthranilic acid acyl carrier protein synthase inhibitors.

Abstract：

:Acyl carrier protein synthase (AcpS) catalyzes the transfer of the 4'-phosphopantetheinyl group from the coenzyme A to a serine residue in acyl carrier protein (ACP), thereby activating ACP, an important step in cell wall biosynthesis. The structure-based design of novel anthranilic acid inhibitors of AcpS, a potential antibacterial target, is presented. An initial high-throughput screening lead and numerous analogues were modeled into the available AcpS X-ray structure, opportunities for synthetic modification were identified, and an iterative process of synthetic modification, X-ray complex structure determination with AcpS, biological testing, and further modeling ultimately led to potent inhibitors of the enzyme. Four X-ray complex structures of representative anthranilic acid ligands bound to AcpS are described in detail.

journal_name

J Med Chem

journal_title

Journal of medicinal chemistry

authors

Joseph-McCarthy D,Parris K,Huang A,Failli A,Quagliato D,Dushin EG,Novikova E,Severina E,Tuckman M,Petersen PJ,Dean C,Fritz CC,Meshulam T,DeCenzo M,Dick L,McFadyen IJ,Somers WS,Lovering F,Gilbert AM

doi

10.1021/jm050523n

keywords:

subject

Has Abstract

pub_date

2005-12-15 00:00:00

pages

7960-9

issue

25

eissn

0022-2623

issn

1520-4804

journal_volume

48

pub_type

杂志文章

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