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

29 Mar, 2022

Academic Editor

Humbert G. Díaz

Citation

Alex FM Monteiro, Emille WR Da Silva, Paulo SDS Pereira, Teresa CML Rodrigues, Jessica P De Moura, Igor MA De Araujo, Jeremias J Emídio, Marcus T Scotti, Luciana Scotti, Activity prediction, toxicity and molecular modeling of terpenoids against tuberculosis, 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-08-12454

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Activity prediction, toxicity and molecular modeling of terpenoids against tuberculosis

Emille WR Da Silva ¹

Paulo SDS Pereira ¹

Teresa CML Rodrigues ¹

Jessica P De Moura ¹

Igor MA De Araujo ¹

Jeremias J Emídio 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

tuberculose

Poster

Resumo expandido - Emille.pdf