Events MOL2NET'22, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 8th ed.

Event submissions

Published

This submission belongs to the session 01. CHEMBIO.INFO-08: Cheminfo., Chemom., Comput. Chem. & Bioinfo., Congress München, GR-Cambridge, UK-Ch. Hill, USA, 2022. of the event MOL2NET'22, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 8th ed.

Published date

31 Mar, 2022

Academic Editor

Humbert G. Díaz

Citation

Alex FM Monteiro, Jessica P De Moura, Jeremias J Emídio, Teresa CML Rodrigues, Igor MA De Araujo, Emille WR Da Silva, Paulo SDS Pereira, Marcus T Scotti, Luciana Scotti, Prediction of antimalaria activity, cytotoxicity risks and molecular docking of constituents of rosemary essential oil (Rosmarinus officinalis L.) against Plasmodium falciparum, in Proceedings of MOL2NET'22, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 8th ed., 1 January–15 January 2023, MDPI: Basel, Switzerland, doi: 10.3390/mol2net-08-12464

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Prediction of antimalaria activity, cytotoxicity risks and molecular docking of constituents of rosemary essential oil (Rosmarinus officinalis L.) against Plasmodium falciparum

Jessica P De Moura ¹

Jeremias J Emídio ¹

Teresa CML Rodrigues ¹

Igor MA De Araujo ¹

Emille WR Da Silva ¹

Paulo SDS Pereira ¹

Marcus T Scotti ¹

Luciana Scotti ^2,3

Alex FM Monteiro ^4,5

1. Postgraduate Program in Bioactive Natural and Synthetic Products, Federal University of Paraíba, Castelo Branco - João Pessoa - Brazil

2. Federal University of Paraíba, Health Sci. Center, 50670-910, João Pessoa, PB, Brazil

3. Teaching and Research Management - University Hospital, Federal University of Paraíba, João Pessoa, PB, Brazil

4. Postgraduate Program in Bioactive Natural and Synthetic Products, Federal University of Paraíba, Castelo Branco - João Pessoa - Brazil.

5. Postgraduate Program in Chemistry - Federal Rural University of Pernambuco - UFRPE - Recife - PE.

Abstract

Keywords

KNIME

toxicity

molecular modeling

molecular descriptors

malaria

Poster

Prediction of antimalaria activity, cytotoxicity risks and molecular docking of constituents of rosemary essential oil (Rosmarinus officinalis L.) against Plasmodium falciparum.pdf