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Discovery of a new isomannide-based peptidomimetic synthetized by Ugi multicomponent reaction as human tissue kallikrein 1 inhibitor.

Abstract：

:Human kallikrein 1 (KLK1) is the most extensively studied member of this family and plays a major role in inflammation processes. From Ugi multicomponent reactions, isomannide-based peptidomimetic 10 and 13 where synthesized and showed low micromolar values of IC50 for KLK1 The most active compound (10) presented competitive mechanism, with three structural modifications important to interact with active site residues which corroborates its KLK1 inhibition. Finally, the most active compound also showed good ADMET profile, which indicates compound 10 as a potential hit in the search for new KLK1 inhibitors with low side effects.

journal_name

Bioorg Med Chem Lett

journal_title

Bioorganic & medicinal chemistry letters

authors

Barros TG,Santos JAN,de Souza BEG,Sodero ACR,de Souza AMT,da Silva DP,Rodrigues CR,Pinheiro S,Dias LRS,Abrahim-Vieira B,Puzer L,Muri EMF

doi

10.1016/j.bmcl.2016.11.051

subject

Has Abstract

pub_date

2017-01-15 00:00:00

pages

314-318

issue

2

eissn

0960-894X

issn

1464-3405

pii

S0960-894X(16)31203-3

journal_volume

27

pub_type

杂志文章

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