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ECSOC-22

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Organic Chemistry".

Deadline for manuscript submissions: closed (31 July 2019) | Viewed by 4253

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Departamento de Química Orgánica, Universidad de Santiago de Compostela, Facultad de Ciencias-Campus de Lugo, Alfonso X el Sabio, 27002 Lugo, Spain
Interests: synthesis of compounds with biologic activity; synthesis of compounds with interest for agro-food field; solation, structural determination and synthesis of natural products; microwave organic reactions enhancement
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Special Issue Information

Dear Colleagues,

Electronic conferences on synthetic organic chemistry (ECSOC) are a series of conferences maintained through the internet since 1997, an original initiative by MDPI, and later consolidated with the contribution of the University of Santiago de Compostela (Spain). Nowadays it constitutes the first and oldest electronic conference in the world. It maintains its character of free participation, with contributions considered as preliminary reports on edge achievements, and registration as a distinctive standard of the world wide web open access character.

It covers different sections of organic synthesis:

  1. General Organic Synthesis
  2. Bioorganic, Medicinal and Natural Products Chemistry
  3. Microwave Assisted Synthesis
  4. Polymer and Supramolecular Chemistry
  5. Computational Chemistry
  6. Ionic Liquids

For more information on The 22nd International Electronic Conference on Synthetic Organic Chemistry (ECSOC-22), please go to: http://sciforum.net/conference/ecsoc-22

Dr. Julio A. Seijas Vázquez
Guest Editor

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Published Papers (1 paper)

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Research

19 pages, 1523 KiB  
Article
Bioactivity of Methoxylated and Methylated 1-Hydroxynaphthalene-2-Carboxanilides: Comparative Molecular Surface Analysis
by Hana Michnová, Šárka Pospíšilová, Tomáš Goněc, Iva Kapustíková, Peter Kollár, Violetta Kozik, Robert Musioł, Izabela Jendrzejewska, Ján Vančo, Zdeněk Trávníček, Alois Čížek, Andrzej Bąk and Josef Jampílek
Molecules 2019, 24(16), 2991; https://doi.org/10.3390/molecules24162991 - 18 Aug 2019
Cited by 15 | Viewed by 3613
Abstract
A series of twenty-six methoxylated and methylated N-aryl-1-hydroxynaphthalene- 2-carboxanilides was prepared and characterized as potential anti-invasive agents. The molecular structure of N-(2,5-dimethylphenyl)-1-hydroxynaphthalene-2-carboxamide as a model compound was determined by single-crystal X-ray diffraction. All the analysed compounds were tested against the reference [...] Read more.
A series of twenty-six methoxylated and methylated N-aryl-1-hydroxynaphthalene- 2-carboxanilides was prepared and characterized as potential anti-invasive agents. The molecular structure of N-(2,5-dimethylphenyl)-1-hydroxynaphthalene-2-carboxamide as a model compound was determined by single-crystal X-ray diffraction. All the analysed compounds were tested against the reference strain Staphylococcus aureus and three clinical isolates of methicillin-resistant S. aureus as well as against Mycobacterium tuberculosis and M. kansasii. In addition, the inhibitory profile of photosynthetic electron transport in spinach (Spinacia oleracea L.) chloroplasts was specified. In vitro cytotoxicity of the most effective compounds was tested on the human monocytic leukaemia THP-1 cell line. The activities of N-(3,5-dimethylphenyl)-, N-(3-fluoro-5-methoxy-phenyl)- and N-(3,5-dimethoxyphenyl)-1-hydroxynaphthalene-2-carbox- amide were comparable with or even better than the commonly used standards ampicillin and isoniazid. All promising compounds did not show any cytotoxic effect at the concentration >30 µM. Moreover, an in silico evaluation of clogP features was performed for the entire set of the carboxamides using a range of software lipophilicity predictors, and cross-comparison with the experimentally determined lipophilicity (log k), in consensus lipophilicity estimation, was conducted as well. Principal component analysis was employed to illustrate noticeable variations with respect to the molecular lipophilicity (theoretical/experimental) and rule-of-five violations. Additionally, ligand-oriented studies for the assessment of the three-dimensional quantitative structure–activity relationship profile were carried out with the comparative molecular surface analysis to determine electron and/or steric factors that potentially contribute to the biological activities of the investigated compounds. Full article
(This article belongs to the Special Issue ECSOC-22)
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