Pharmacophore identification, synthesis, and biological evaluation of carboxylated chalcone derivatives as CysLT1 antagonists.

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Dong X, Wang L, Huang X, Liu T, Wei E, Du L, Yang B, Hu Y

Pharmacophore identification, synthesis, and biological evaluation of carboxylated chalcone derivatives as CysLT1 antagonists.

Bioorg Med Chem. 2010 Aug 1;18(15):5519-27. doi: 10.1016/j.bmc.2010.06.047. Epub 2010 Jun 20.

PubMed ID

20621485 [ View in PubMed

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Abstract

The pharmacophore model (Hypo1) with a well prediction capacity for CysLT(1) antagonists was developed using Catalyst/HypoGen program. Virtual screening against an in-house database consisted of carboxylated chalcones using Hypo1 was performed. Retrieved hits 26a, 26b, 27a, and 27b were synthesized and biological evaluated, the results of which demonstrated that these compounds showed moderate to good CysLT(1) antagonistic activities. This study indicated that the generated model (Hypo1) is a reliable and useful tool in lead optimization for novel CysLT(1) antagonists.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
Montelukast	Cysteinyl leukotriene receptor 1	EC 50 (nM)	72	N/A	N/A	Details