EventsMOL2NET'22, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 8th ed.
Event submissions
Published
with-doi10.3390/mol2net-08-12463
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
author-avatarHumbert G. Díaz
Citation
Alex FM Monteiro, Igor MA De Araujo, Jessica P De Moura, Teresa CML Rodrigues, Paulo SDS Pereira, Jeremias J Emídio, Emille WR Da Silva, Marcus T Scotti, Luciana Scotti, Molecular docking study in silico of chemical constituents of Paubrasilia echinata Lam., against chagas disease, 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-08-12463
Share
Email
Facebook
Twitter
LinkedIn

Molecular docking study in silico of chemical constituents of Paubrasilia echinata Lam., against chagas disease

Igor MA De Araujo 1
Jessica P De Moura 1
Teresa CML Rodrigues 1
Paulo SDS Pereira 1
Jeremias J Emídio 1
Emille WR Da Silva 1
image
Marcus T Scotti 1
image
Luciana Scotti 2,3
image
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

Neglected diseases are caused due to a set of ecological, evolutionary and biological factors, there is a higher incidence in the number of cases in countries with tropical climate. Chagas disease is one of the most important neglected diseases that affects several countries. The etiologic agent that causes this disease is the flagellate protozoan Trypanosoma cruzi. The disease presents in two clinical phases: acute and chronic. This disease pose a significant burden to people's health in general. The drugs available to treat it are not able to meet your clinical needs. Aiming at the analysis of a chemical constituent of pau brasil (Paubrasilia echinata Lam.), the present study aimed to evaluate the action of antichagasic constituents through an in silico study.

Keywords
Chemoinformatics
molecular docking
Knime
in silico
Paubrasilia echinata
Poster
Resumo expandido OFC.pdf
Resumo expandido OFC.pdf
In silico study and molecular docking of flavonoid derivatives with potential biological activity against Leishmania braziliensis
Prediction of antimalaria activity, cytotoxicity risks and molecular docking of constituents of rosemary essential oil (Rosmarinus officinalis L.) against Plasmodium falciparum