Literature DB >> 20667724

Discovery of cannabinoid-1 receptor antagonists by virtual screening.

Gil Nam Lee1, Kwang Rok Kim, Sung-Hoon Ahn, Myung Ae Bae, Nam Sook Kang.   

Abstract

In this work, we tried to find a new scaffold for a CB1 receptor antagonist using virtual screening. We first analyzed structural features for the known cannabinoid-1 receptor antagonists and, then, we built pharmacophore models using the HipHop concept and carried out a docking study based on our homology CB1 receptor 3D structure. The most active compound, including thiazole-4-one moiety, showed an activity value of 125 nM IC(50), with a good PK profile. Copyright 2010 Elsevier Ltd. All rights reserved.

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Year:  2010        PMID： 20667724     DOI： 10.1016/j.bmcl.2010.07.018

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN： 0960-894X            Impact factor:   2.823


  3 in total

1.  Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1.

Authors:  Lenir C Correia; Jaderson V Ferreira; Henrique B de Lima; Guilherme M Silva; Carlos H T P da Silva; Fábio A de Molfetta; Lorane I S Hage-Melim
Journal:  J Mol Model       Date:  2022-08-17       Impact factor: 2.172

2.  Structure-Based Identification of Potent Natural Product Chemotypes as Cannabinoid Receptor 1 Inverse Agonists.

Authors:  Pankaj Pandey; Kuldeep K Roy; Haining Liu; Guoyi Ma; Sara Pettaway; Walid F Alsharif; Rama S Gadepalli; John M Rimoldi; Christopher R McCurdy; Stephen J Cutler; Robert J Doerksen
Journal:  Molecules       Date:  2018-10-13       Impact factor: 4.411

Review 3.  5-Ene-4-thiazolidinones - An efficient tool in medicinal chemistry.

Authors:  Danylo Kaminskyy; Anna Kryshchyshyn; Roman Lesyk
Journal:  Eur J Med Chem       Date:  2017-09-20       Impact factor: 6.514
  3 in total

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