Literature DB >> 26716754

[Common features of antibacterial compounds: an analysis of 104 compounds library].

M S Veselov1, P V Sergiev2, I A Osterman2, D A Skvortsov2, A Ya Golovina2, E S Andreyanova2, I G Laptev2, P I Pletnev2, S A Evfratov2, E I Marusich1, S V Leonov1, Ya A Ivanenkov1, A A Bogdanov2, O A Dontsova2.   

Abstract

Antibacterial compounds are one of the essential classes of clinically important drugs. High throughput screening allowed revealing potential antibiotics active towards any molecular target in bacterial cell. We used a library of 9820 organic compounds with highly diversified structures to screen for antibacterial activity. As the result of automated screening, 103 compounds were found to possess antibacterial activity against Escherichia coli. The properties of these compounds were compared with those of initial library. Non-linear Kohonen mapping was used to analyze the differences between non-active molecules from initial library, identified antibacterial hits and compounds with reported antibacterial activity. It was found that identified antibacterial compounds are located in the separated area of chemical space. It can be therefore suggested that these molecules belong to novel classes of antibacterial compounds and could be studied further.

Entities:  

Keywords:  antibiotic; bacteria; molecular descriptors; screening

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Year:  2015        PMID: 26716754     DOI: 10.18097/PBMC20156106785

Source DB:  PubMed          Journal:  Biomed Khim        ISSN: 2310-6905


  2 in total

1.  Cytotoxicity Test Based on Human Cells Labeled with Fluorescent Proteins: Fluorimetry, Photography, and Scanning for High-Throughput Assay.

Authors:  Marina A Kalinina; Dmitry A Skvortsov; Maria P Rubtsova; Ekaterina S Komarova; Olga A Dontsova
Journal:  Mol Imaging Biol       Date:  2018-06       Impact factor: 3.488

2.  Comparison of the Phytochemical Composition and Antibacterial Activities of the Various Extracts from Leaves and Twigs of Illicium verum.

Authors:  Emirlyn-Cheng Yang; Ya-Yun Hsieh; Li-Yeh Chuang
Journal:  Molecules       Date:  2021-06-26       Impact factor: 4.411

  2 in total

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