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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.
Phys Chem Chem Phys. 2022 Feb 23;24(8):5052-5069. doi: 10.1039/d1cp04992e.
Phys Chem Chem Phys. 2022.
PMID: 35144275
Antiproliferative activity on Trypanosoma cruzi (Y strain) of the triterpene 3β,6β,16β-trihidroxilup-20 (29)-ene isolated from Combretum leprosum.
de Araújo JIF, Aires NL, Almeida-Neto FWQ, Marinho MM, Marinho EM, Paula Magalhães E, de Menezes RRPPB, Sampaio TL, Maria Costa Martins A, Teixeira EH, Rafaela Freitas Dotto A, Amaral WD, Teixeira AMR, de Lima-Neto P, Marinho ES, Dos Santos HS.
de Araújo JIF, et al. Among authors: paula magalhaes e.
J Biomol Struct Dyn. 2022;40(22):12302-12315. doi: 10.1080/07391102.2021.1970025. Epub 2021 Aug 26.
J Biomol Struct Dyn. 2022.
PMID: 34436980
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Antichagasic evaluation, molecular docking and ADMET properties of the chalcone (2E)-3-(2-fluorophenyl)-1-(2-hydroxy- 3,4,6-trimethoxyphenyl)prop-2-en-1-one against Trypanosoma cruzi.
Cavalcante CHL, Almeida-Neto FWQ, da Rocha MN, Bandeira PN, de Menezes RRPPB, Paula Magalhães E, Sampaio TL, Marinho ES, Marinho MM, Maria Costa Martins A, Dos Santos HS.
Cavalcante CHL, et al. Among authors: paula magalhaes e.
J Biomol Struct Dyn. 2023 Sep-Oct;41(15):7463-7479. doi: 10.1080/07391102.2022.2123394. Epub 2022 Sep 19.
J Biomol Struct Dyn. 2023.
PMID: 36120936
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Trypanocidal potential of synthetic p-aminochalcones: In silico and in vitro evaluation.
Dutra Barroso Gomes N, Paula Magalhães E, Rodrigues Ribeiro L, Cavalcante JW, Morais Gomes Maia M, Cunha da Silva FR, Ali A, Machado Marinho M, Silva Marinho E, Silva Dos Santos H, Costa Martins AM, Róseo Paula Pessoa Bezerra de Menezes R.
Dutra Barroso Gomes N, et al. Among authors: paula magalhaes e.
Bioorg Chem. 2023 Dec;141:106931. doi: 10.1016/j.bioorg.2023.106931. Epub 2023 Oct 20.
Bioorg Chem. 2023.
PMID: 37879182
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