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Structure-based virtual screening of mangiferin derivatives with antidiabetic action: a molecular docking and dynamics study and MPO-based drug-likeness approach.
3 Biotech. 2024 May;14(5):135. doi: 10.1007/s13205-024-03978-9. Epub 2024 Apr 23.
3 Biotech. 2024.
PMID: 38665880
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.
Marinho MM, da Rocha MN, Magalhães EP, Ribeiro LR, Roberto CHA, de Queiroz Almeida-Neto FW, Monteiro ML, Nunes JVS, de Menezes RRPPB, Marinho ES, de Lima Neto P, Martins AMC, Dos Santos HS.
Marinho MM, et al. Among authors: roberto cha.
Naunyn Schmiedebergs Arch Pharmacol. 2024 May 9. doi: 10.1007/s00210-024-03138-z. Online ahead of print.
Naunyn Schmiedebergs Arch Pharmacol. 2024.
PMID: 38722342
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