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Quantum mechanical, molecular docking, molecular dynamics, ADMET and antiproliferative activity onTrypanosoma 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
Maria Geysillene Castro Matos, Leonardo Paes da Silva, Francisco Wagner Queiroz Almeida-Neto, et al.
Physical Chemistry Chemical Physics (2022) Vol. 24, Iss. 8, pp. 5052-5069
Closed Access | Times Cited: 8
Maria Geysillene Castro Matos, Leonardo Paes da Silva, Francisco Wagner Queiroz Almeida-Neto, et al.
Physical Chemistry Chemical Physics (2022) Vol. 24, Iss. 8, pp. 5052-5069
Closed Access | Times Cited: 8
Showing 8 citing articles:
Insights of potential trypanocidal effect of the synthetic derivative (2E)-1-(4-aminophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one: in vitro assay, MEV analysis, quantum study, molecular docking, molecular dynamics, MPO analysis, and predictive ADMET
Márcia Machado Marinho, Matheus Nunes da Rocha, Emanuel Paula Magalhães, et al.
Naunyn-Schmiedeberg s Archives of Pharmacology (2024) Vol. 397, Iss. 10, pp. 7797-7818
Closed Access | Times Cited: 3
Márcia Machado Marinho, Matheus Nunes da Rocha, Emanuel Paula Magalhães, et al.
Naunyn-Schmiedeberg s Archives of Pharmacology (2024) Vol. 397, Iss. 10, pp. 7797-7818
Closed Access | Times Cited: 3
Synthesis, Vibrational Analysis, Thermal analysis, Quantum-chemical Calculation, Molecular Docking and Dynamics, DMPK and Evaluation of the Antichagasic Potential of a Fluorinated Chalcone
João Victor Serra Nunes, Emanuelle Machado Marinho, Caio Henrique Alexandre Roberto, et al.
Journal of Molecular Structure (2024) Vol. 1318, pp. 139124-139124
Closed Access | Times Cited: 3
João Victor Serra Nunes, Emanuelle Machado Marinho, Caio Henrique Alexandre Roberto, et al.
Journal of Molecular Structure (2024) Vol. 1318, pp. 139124-139124
Closed Access | Times Cited: 3
Potentiating‐antibiotic activity and absorption, distribution, metabolism, excretion and toxicity properties (ADMET) analysis of synthetic thiadiazines against multi‐drug resistant (MDR) strains
Ana Carolina Justino de Araújo, Priscilla Ramos Freitas, Isaac Moura Araújo, et al.
Fundamental and Clinical Pharmacology (2023) Vol. 38, Iss. 1, pp. 84-98
Closed Access | Times Cited: 9
Ana Carolina Justino de Araújo, Priscilla Ramos Freitas, Isaac Moura Araújo, et al.
Fundamental and Clinical Pharmacology (2023) Vol. 38, Iss. 1, pp. 84-98
Closed Access | Times Cited: 9
Withanolides of Athenaea velutina with potential inhibitory properties against SARS coronavirus main protease (m pro ): molecular modeling studies
Pabllo Abreu Alves, Késya Amanda Dantas Rocha, Lucas Lima Bezerra, et al.
Journal of Biomolecular Structure and Dynamics (2023) Vol. 41, Iss. 21, pp. 12267-12275
Closed Access | Times Cited: 3
Pabllo Abreu Alves, Késya Amanda Dantas Rocha, Lucas Lima Bezerra, et al.
Journal of Biomolecular Structure and Dynamics (2023) Vol. 41, Iss. 21, pp. 12267-12275
Closed Access | Times Cited: 3
Trypanocidal potential of synthetic p-aminochalcones: In silico and in vitro evaluation
Naiara Dutra Barroso Gomes, Emanuel Paula Magalhães, Lyanna Rodrigues Ribeiro, et al.
Bioorganic Chemistry (2023) Vol. 141, pp. 106931-106931
Closed Access | Times Cited: 3
Naiara Dutra Barroso Gomes, Emanuel Paula Magalhães, Lyanna Rodrigues Ribeiro, et al.
Bioorganic Chemistry (2023) Vol. 141, pp. 106931-106931
Closed Access | Times Cited: 3
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
Carlos H. L. Cavalcante, Francisco Wagner Queiroz Almeida-Neto, Matheus Nunes da Rocha, et al.
Journal of Biomolecular Structure and Dynamics (2022) Vol. 41, Iss. 15, pp. 7463-7479
Closed Access | Times Cited: 4
Carlos H. L. Cavalcante, Francisco Wagner Queiroz Almeida-Neto, Matheus Nunes da Rocha, et al.
Journal of Biomolecular Structure and Dynamics (2022) Vol. 41, Iss. 15, pp. 7463-7479
Closed Access | Times Cited: 4
Isolation, characterization and in silico study of propenamide alkaloids from Hymenoepmecis bicolor poison against active μ -opioid receptor
Aluísio Marques da Fonseca, Ananias Freire da Silva, Francisco Lennon Barbosa da Silva, et al.
Journal of Biomolecular Structure and Dynamics (2023) Vol. 41, Iss. 24, pp. 14621-14637
Closed Access | Times Cited: 1
Aluísio Marques da Fonseca, Ananias Freire da Silva, Francisco Lennon Barbosa da Silva, et al.
Journal of Biomolecular Structure and Dynamics (2023) Vol. 41, Iss. 24, pp. 14621-14637
Closed Access | Times Cited: 1
Elongation on Aliphatic Chain Improves Selectivity of 2-Hydroxy-3,4,6-Trimethoxyphenyl Chalcone on Trypanosoma Cruzi
Lyanna Rodrigues Ribeiro, Emanuel Paula Magalhães, Naiara Dutra Barroso Gomes, et al.
Future Medicinal Chemistry (2023) Vol. 16, Iss. 1, pp. 11-26
Closed Access | Times Cited: 1
Lyanna Rodrigues Ribeiro, Emanuel Paula Magalhães, Naiara Dutra Barroso Gomes, et al.
Future Medicinal Chemistry (2023) Vol. 16, Iss. 1, pp. 11-26
Closed Access | Times Cited: 1
