Literature DB >> 16570931

Similarity based virtual screening: a tool for targeted library design.

Joni K O Alvesalo1, Antti Siiskonen, Mikko J Vainio, Päivi S M Tammela, Pia M Vuorela.   

Abstract

High throughput screening drug discovery utilizes large and expensive compound libraries. As an alternative, a smaller targeted library can be constructed with the aid of the 3D structure of the target molecule. We used the X-ray crystal structure of a protein homologous to the selected target in creation of a small focused library and evaluated inhibition potential of this library against Chlamydia pneumoniae, a common pathogen recently linked to atherosclerosis and risk of myocardial infarction.

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Year:  2006        PMID: 16570931     DOI: 10.1021/jm051209w

Source DB:  PubMed          Journal:  J Med Chem        ISSN: 0022-2623            Impact factor:   7.446


  9 in total

Review 1.  The chemistry of peptidyltransferase center-targeted antibiotics: enzymatic resistance and approaches to countering resistance.

Authors:  Kevin P McCusker; Danica Galonić Fujimori
Journal:  ACS Chem Biol       Date:  2011-12-30       Impact factor: 5.100

2.  Inhibitory activity of the isoflavone biochanin A on intracellular bacteria of genus Chlamydia and initial development of a buccal formulation.

Authors:  Leena Hanski; Natalja Genina; Hanna Uvell; Kristina Malinovskaja; Åsa Gylfe; Timo Laaksonen; Ruzica Kolakovic; Ermei Mäkilä; Jarno Salonen; Jouni Hirvonen; Mikael Elofsson; Niklas Sandler; Pia M Vuorela
Journal:  PLoS One       Date:  2014-12-16       Impact factor: 3.240

3.  A graph-based approach to construct target-focused libraries for virtual screening.

Authors:  Misagh Naderi; Chris Alvin; Yun Ding; Supratik Mukhopadhyay; Michal Brylinski
Journal:  J Cheminform       Date:  2016-03-15       Impact factor: 5.514

Review 4.  Lead Discovery Strategies for Identification of Chlamydia pneumoniae Inhibitors.

Authors:  Leena Hanski; Pia Vuorela
Journal:  Microorganisms       Date:  2016-11-28

5.  AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization.

Authors:  Jacob O Spiegel; Jacob D Durrant
Journal:  J Cheminform       Date:  2020-04-17       Impact factor: 5.514

6.  Phenotypic Screening of Molecular Docking Enriched Chemical Libraries from Targets Identified in Ischemic Stroke Genome Data by Network-Based Method.

Authors:  Xiaojiang Peng; Dao-Jin Xue
Journal:  J Healthc Eng       Date:  2021-11-15       Impact factor: 2.682

7.  Chemical biology and medicinal chemistry of RNA methyltransferases.

Authors:  Tim R Fischer; Laurenz Meidner; Marvin Schwickert; Marlies Weber; Robert A Zimmermann; Christian Kersten; Tanja Schirmeister; Mark Helm
Journal:  Nucleic Acids Res       Date:  2022-05-06       Impact factor: 19.160

8.  The chlamydial functional homolog of KsgA confers kasugamycin sensitivity to Chlamydia trachomatis and impacts bacterial fitness.

Authors:  Rachel Binet; Anthony T Maurelli
Journal:  BMC Microbiol       Date:  2009-12-31       Impact factor: 3.605

9.  Screening Outside the Catalytic Site: Inhibition of Macromolecular Inter-actions Through Structure-Based Virtual Ligand Screening Experiments.

Authors:  Olivier Sperandio; Maria A Miteva; Kenneth Segers; Gerry A F Nicolaes; Bruno O Villoutreix
Journal:  Open Biochem J       Date:  2008-03-10
  9 in total

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