Quantum mechanical, molecular docking, molecular dynamics, ADMET and antiproliferative activity on <i>Trypanosoma cruzi</i> (Y strain) of chalcone (<i>E</i>)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one derived from a natural product-Reference-Cited by-同舟云学术

Quantum mechanical, molecular docking, molecular dynamics, ADMET and antiproliferative activity on Trypanosoma cruzi (Y strain) of chalcone (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one derived from a natural product

Published:2022 Issue:8 Volume:24 Page:5052-5069
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Geysillene Castro Matos Maria¹,da Silva Leonardo Paes²^ORCID,Wagner Queiroz Almeida-Neto Francisco²,Machado Marinho Emanuelle²,Róseo Paula Pessoa Bezerra de Menezes Ramon³,Lima Sampaio Tiago³,Nunes da Rocha Matheus⁴,Rodrigues Ribeiro Lyanna³,Paula magalhaes Emanuel³,Rodrigues Teixeira Alexandre Magno¹,dos Santos Hélcio Silva¹⁵⁶^ORCID,Marinho Emmanuel Silva⁴⁶,de Lima-Neto Pedro²,Costa Martins Alice Maria³,Monteiro Norberto K. V.¹^ORCID,Machado Marinho Márcia⁷

Affiliation:

1. State University of Ceará, Center for Science and Technology, Postgraduate Program in Natural Sciences, Fortaleza, CE, Brazil

2. Federal University of Ceará, Department of Analytical Chemistry and Physical Chemistry, Campus do Pici, Fortaleza, CE, Brazil

3. Federal University of Ceará, Department of Clinical and Toxicological Analysis, Fortaleza, CE, Brazil

4. State University of Ceará, Faculty of Philosophy Dom Aureliano Matos, Limoeiro do Norte, CE, Brazil

5. State University of Vale do Acaraú, Center for Exact Sciences and Technology, Sobral, CE, Brazil

6. Regional University of Cariri, Department of Biological Chemistry, Crato, CE, Brazil

7. Faculty of Education, Science and Letters of Iguatu, State University of Ceará, Iguatu, CE, Brazil

Abstract

Chagas disease is a leading public health problem.

Funder

Fundação Cearense de Apoio ao Desenvolvimento Científico e Tecnológico

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04992E

Reference73 articles.

1. WHF IASC Roadmap on Chagas Disease

2. Leishmaniasis and Chagas Disease – Neglected Tropical Diseases: Treatment Updates

3. Tripanosomiasis americana, una mirada desde el tratamiento

4. Quimioterapia da doença de Chagas: estado da arte e perspectivas no desenvolvimento de novos fármacos

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