title: [Common features of antibacterial compounds: an analysis of 104 compounds library].
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.
authors.affiliation: Moscow Institute of Physics and Technology (State University), Moscow region, Russia.
authors.forename: M S
authors.initials: MS
authors.lastname: Veselov
authors.affiliation: Department of Chemistry and A.N. Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Mosсow, Russia.
authors.forename: P V
authors.initials: PV
authors.lastname: Sergiev
authors.affiliation: Department of Chemistry and A.N. Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Mosсow, Russia.
authors.forename: I A
authors.initials: IA
authors.lastname: Osterman
authors.affiliation: Department of Chemistry and A.N. Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Mosсow, Russia.
authors.forename: D A
authors.initials: DA
authors.lastname: Skvortsov
authors.affiliation: Department of Chemistry and A.N. Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Mosсow, Russia.
authors.forename: A Ya
authors.initials: AY
authors.lastname: Golovina
authors.affiliation: Department of Chemistry and A.N. Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Mosсow, Russia.
authors.forename: E S
authors.initials: ES
authors.lastname: Andreyanova
authors.affiliation: Department of Chemistry and A.N. Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Mosсow, Russia.
authors.forename: I G
authors.initials: IG
authors.lastname: Laptev
authors.affiliation: Department of Chemistry and A.N. Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Mosсow, Russia.
authors.forename: P I
authors.initials: PI
authors.lastname: Pletnev
authors.affiliation: Department of Chemistry and A.N. Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Mosсow, Russia.
authors.forename: S A
authors.initials: SA
authors.lastname: Evfratov
authors.affiliation: Moscow Institute of Physics and Technology (State University), Moscow region, Russia.
authors.forename: E I
authors.initials: EI
authors.lastname: Marusich
authors.affiliation: Moscow Institute of Physics and Technology (State University), Moscow region, Russia.
authors.forename: S V
authors.initials: SV
authors.lastname: Leonov
authors.affiliation: Moscow Institute of Physics and Technology (State University), Moscow region, Russia.
authors.forename: Ya A
authors.initials: YA
authors.lastname: Ivanenkov
authors.affiliation: Department of Chemistry and A.N. Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Mosсow, Russia.
authors.forename: A A
authors.initials: AA
authors.lastname: Bogdanov
authors.affiliation: Department of Chemistry and A.N. Belozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Mosсow, Russia.
authors.forename: O A
authors.initials: OA
authors.lastname: Dontsova
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry* / Q000494:pharmacology*; D004353:Drug Evaluation, Preclinical / Q000379:methods; D004926:Escherichia coli / Q000254:growth & development*
chemical_list: D000900:Anti-Bacterial Agents
keywords: antibiotic; bacteria; molecular descriptors; screening