EventsMOL2NET'19, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 5th ed.
Event submissions
Published
with-doi10.3390/mol2net-05-06760
This submission belongs to the session 05. CHEMBIOINFO-05: Chem-Bioinformatics Congress München, Germany-Chapell Hill, USA, 2019 of the event MOL2NET'19, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 5th ed.
Published date
09 Dec, 2019
Citation
Érika Moura, Alex Monteiro, Mayara Maia, Gabriela Rodrigues, Natália Sousa, Eugene Muratov, Marcus Scotti, Luciana Scotti, In silico study of various compounds from essential oil of Cymbopogon winterianus against Pseudomonas aeruginosa targets, in Proceedings of MOL2NET'19, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 5th ed., 20 March–20 December 2019, MDPI: Basel, Switzerland, doi: 10.3390/mol2net-05-06760
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In silico study of various compounds from essential oil of Cymbopogon winterianus against Pseudomonas aeruginosa targets

Érika Moura 1
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Alex Monteiro 2
Mayara Maia 2
Natália Sousa 2
Gabriela Rodrigues 2
Eugene Muratov 2,3
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Marcus Scotti 2
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Luciana Scotti 2,4
1. Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, Health Science Center. Campus I, 50670-910, João Pessoa, PB, Brazil, Brazil
2. Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, Health Science Center. Campus I, 50670-910, João Pessoa, PB, Brazil
3. Laboratory for Molecular Modelling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, EUA
4. Teaching and Research Management - University Hospital, Federal University of Paraíba, João Pessoa, PB, Brazil
Abstract

Pseudomonas aeruginosa is a gram-negative bacterium that can be found in soil, aquatic environments or on the surface of animals, plants and humans. It is commonly isolated in immunocompromised patients in intensive care units and can cause urinary tract infections, pneumonia, folliculitis, otitis, keratitis, osteomyelitis and meningitis. The compounds present in oils of species of the genus Cymbopogon are known to present several activities, including antimicrobial activity. This work aims to perform a multi-target molecular modeling of essential oil components from citronella (Cymbopogon winterianus) against P. aeruginosa.

Keywords
Pseudomonas
in silico
multi-target
molecular docking
Manuscript
In silico study of Cymbopogon winterianus against Pseudomonas.pdf
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