Molecular docking analysis of newly synthesized 2- morpholinoquinoline derivatives with antifungal potential toward Aspergillus fumigatus
The present paper is concerned with the molecular docking analysis of newly synthesized 2-morpholinoquinoline derivatives with antifungal potential toward Aspergillus fumigatus. The purpose of the molecular docking analysis was to determine potential interactions between the analyzed compou...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Faculty of Technology, Novi Sad
2017-01-01
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| Series: | Acta Periodica Technologica |
| Subjects: | |
| Online Access: | http://www.doiserbia.nb.rs/img/doi/1450-7188/2017/1450-71881748155K.pdf |
| _version_ | 1818511785367437312 |
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| author | Kovačević Strahinja Z. Karadžić Milica Ž. Jevrić Lidija R. Podunavac-Kuzmanović Sanja O. |
| author_facet | Kovačević Strahinja Z. Karadžić Milica Ž. Jevrić Lidija R. Podunavac-Kuzmanović Sanja O. |
| author_sort | Kovačević Strahinja Z. |
| collection | DOAJ |
| description | The present paper is concerned with the molecular docking analysis of newly
synthesized 2-morpholinoquinoline derivatives with antifungal potential
toward Aspergillus fumigatus. The purpose of the molecular docking analysis
was to determine potential interactions between the analyzed compounds and
the active site of the enzyme glucosamine-6-phosphate synthase, as well as to
reveal which molecular features (the presence of different substituents or
isomers) could be responsible for significant antifungal activity of the
tested compounds. The compounds with the highest antifungal potential toward
pathogenic and saprotrophic fungus Aspergillus fumigatus were docked, and the
results were compared with the docking of griseofulvin, which is an
antifungal drug used in the treatment of various types of dermatophytoses.
Newly discovered antifungal agents are very important in medicine, as well as
in agriculture. The prevention of the presence of mycotoxins in food and feed
products is one of the urgent tasks. Therefore, every effort which leads to
discovery of their mechanism of action and determination of side effects is
precious. The present study can be considered a contribution to the analysis
and selection of newly discovered antifungals from the 2-morpholinoquinoline
family, and one step forward to their practical use in medicine and
agriculture. The obtained results reveal the possible reason why the newly
synthesized 2-morpholinoquinoline expresses even higher antifungal activity
toward Aspergillus fumigatus than griseofulvin, a commercially available
antifungal therapeutic. |
| first_indexed | 2024-12-10T23:37:48Z |
| format | Article |
| id | doaj.art-d975f907311748e7a5c6b0cdbc8d53d2 |
| institution | Directory Open Access Journal |
| issn | 1450-7188 2406-095X |
| language | English |
| last_indexed | 2024-12-10T23:37:48Z |
| publishDate | 2017-01-01 |
| publisher | Faculty of Technology, Novi Sad |
| record_format | Article |
| series | Acta Periodica Technologica |
| spelling | doaj.art-d975f907311748e7a5c6b0cdbc8d53d22022-12-22T01:29:08ZengFaculty of Technology, Novi SadActa Periodica Technologica1450-71882406-095X2017-01-0120174815516510.2298/APT1748155K1450-71881748155KMolecular docking analysis of newly synthesized 2- morpholinoquinoline derivatives with antifungal potential toward Aspergillus fumigatusKovačević Strahinja Z.0Karadžić Milica Ž.1Jevrić Lidija R.2Podunavac-Kuzmanović Sanja O.3Faculty of Technology, Novi SadFaculty of Technology, Novi SadFaculty of Technology, Novi SadFaculty of Technology, Novi SadThe present paper is concerned with the molecular docking analysis of newly synthesized 2-morpholinoquinoline derivatives with antifungal potential toward Aspergillus fumigatus. The purpose of the molecular docking analysis was to determine potential interactions between the analyzed compounds and the active site of the enzyme glucosamine-6-phosphate synthase, as well as to reveal which molecular features (the presence of different substituents or isomers) could be responsible for significant antifungal activity of the tested compounds. The compounds with the highest antifungal potential toward pathogenic and saprotrophic fungus Aspergillus fumigatus were docked, and the results were compared with the docking of griseofulvin, which is an antifungal drug used in the treatment of various types of dermatophytoses. Newly discovered antifungal agents are very important in medicine, as well as in agriculture. The prevention of the presence of mycotoxins in food and feed products is one of the urgent tasks. Therefore, every effort which leads to discovery of their mechanism of action and determination of side effects is precious. The present study can be considered a contribution to the analysis and selection of newly discovered antifungals from the 2-morpholinoquinoline family, and one step forward to their practical use in medicine and agriculture. The obtained results reveal the possible reason why the newly synthesized 2-morpholinoquinoline expresses even higher antifungal activity toward Aspergillus fumigatus than griseofulvin, a commercially available antifungal therapeutic.http://www.doiserbia.nb.rs/img/doi/1450-7188/2017/1450-71881748155K.pdfantifungal activityAspergillus fumigatusfungimolecular dockingmolecular modeling |
| spellingShingle | Kovačević Strahinja Z. Karadžić Milica Ž. Jevrić Lidija R. Podunavac-Kuzmanović Sanja O. Molecular docking analysis of newly synthesized 2- morpholinoquinoline derivatives with antifungal potential toward Aspergillus fumigatus Acta Periodica Technologica antifungal activity Aspergillus fumigatus fungi molecular docking molecular modeling |
| title | Molecular docking analysis of newly synthesized 2- morpholinoquinoline derivatives with antifungal potential toward Aspergillus fumigatus |
| title_full | Molecular docking analysis of newly synthesized 2- morpholinoquinoline derivatives with antifungal potential toward Aspergillus fumigatus |
| title_fullStr | Molecular docking analysis of newly synthesized 2- morpholinoquinoline derivatives with antifungal potential toward Aspergillus fumigatus |
| title_full_unstemmed | Molecular docking analysis of newly synthesized 2- morpholinoquinoline derivatives with antifungal potential toward Aspergillus fumigatus |
| title_short | Molecular docking analysis of newly synthesized 2- morpholinoquinoline derivatives with antifungal potential toward Aspergillus fumigatus |
| title_sort | molecular docking analysis of newly synthesized 2 morpholinoquinoline derivatives with antifungal potential toward aspergillus fumigatus |
| topic | antifungal activity Aspergillus fumigatus fungi molecular docking molecular modeling |
| url | http://www.doiserbia.nb.rs/img/doi/1450-7188/2017/1450-71881748155K.pdf |
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