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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.
Geysillene Castro Matos M, da Silva LP, Wagner Queiroz Almeida-Neto F, Machado Marinho E, Róseo Paula Pessoa Bezerra de Menezes R, Lima Sampaio T, Nunes da Rocha M, Rodrigues Ribeiro L, Paula Magalhaes E, Rodrigues Teixeira AM, Dos Santos HS, Marinho ES, de Lima-Neto P, Costa Martins AM, Monteiro NKV, Machado Marinho M. Geysillene Castro Matos M, et al. Among authors: de lima neto p. Phys Chem Chem Phys. 2022 Feb 23;24(8):5052-5069. doi: 10.1039/d1cp04992e. Phys Chem Chem Phys. 2022. PMID: 35144275
In silico study of the potential interactions of 4'-acetamidechalcones with protein targets in SARS-CoV-2.
Q Almeida-Neto FW, Castro Matos MG, Marinho EM, Marinho MM, Róseo Paula Pessoa Bezerra de Menezes R, Sampaio TL, Bandeira PN, Celedonio Fernandes CF, Magno Rodrigues Teixeira A, Marinho ES, de Lima-Neto P, Silva Dos Santos H. Q Almeida-Neto FW, et al. Biochem Biophys Res Commun. 2021 Jan 22;537:71-77. doi: 10.1016/j.bbrc.2020.12.074. Epub 2020 Dec 26. Biochem Biophys Res Commun. 2021. PMID: 33387885 Free PMC article.
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. 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
Sulfonamide derived from anacardic acid as potential antichagasic: a theoretical approach based on molecular docking, molecular dynamics, and density functional theory calculations.
da Silva LP, Almeida-Neto FWQ, Bezerra LL, Silva J, Monteiro NKV, Marinho MM, Dos Santos HS, Teixeira AMR, Marinho ES, de Lima-Neto P. da Silva LP, et al. Among authors: de lima neto p. J Mol Model. 2023 Apr 29;29(5):165. doi: 10.1007/s00894-023-05566-9. J Mol Model. 2023. PMID: 37117952
34 results