New Compounds for the Management of Trypanosoma brucei Infection

Luisi, Grazia; Carradori, Simone

doi:10.1007/7355_2021_126

Cited by 3 publications

(3 citation statements)

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“…Noticeably, this is the first report for the occurrence of 1,6-di-O-galloyl-D-glucose (10) in genus Euphoria. However, glut-5-en-3-β-ol (1), ψ-taraxasterol (2), 3,3 ,4-O-trimethylellagic acid (3), methyl gallate (5), gallic acid ( 6), kaempferol-3-O-α-L-rhamnoside (7), quercetin-3-O-α-L-rhamnopyrnosyl (8), 3,3 -dimethylellagic acid-4 -O-β-D-glucopyranoside (9), 3,3 ,4tri-O-methyl-4 -O-rutinosyl-ellagic acid (11), and luteolin-7-O-glucoside (12) were reported, previously, in other Euphoria species [40][41][42][43][44][45][46][47], this is the first report for their isolation from E. abyssinica J.F. Gmel.…”

Section: Identification Of the Isolated Compoundsmentioning

confidence: 99%

“…Then, molecular docking was performed with T. brucei Phosphofructokinase (PFK) enzyme where most of them showed good affinity to the selected pocket according to binding affinity results. Interestingly, 1,6-di-O-galloyl-D-glucose (10), kaempferol-3-O-α-L-rhamnoside (7), 3,3 ,4tri-O-methyl-4 -O-rutinosyl-ellagic acid (11), and quercetin-3-O-α-L-rhamnopyrnosyl (8), luteolin-7-O-glucoside (12), in this order, showed good binding affinity energies when compared to the co-docked ligand suramin. Several reports highlighted the in vitro efficacy of some flavonoid compounds against T. brucei [19].…”

Section: Docking Study For Anti-trypanosomal Activitymentioning

confidence: 99%

“…Suramin is informed as a classic, PFK inhibitor, an anti-trypanosomal drug that used since 1920 with high potential activity [10,11]. On the other hand, it is known to exhibit significant side effects, as hypersensitivity, agranulocytosis, and nephrotoxicity [12].…”

Section: Introductionmentioning

confidence: 99%

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Digalloyl Glycoside: A Potential Inhibitor of Trypanosomal PFK from Euphorbia abyssinica J.F. Gmel

El‐Hawary

Mohammed

Lithy

et al. 2022

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Human African trypanosomiasis is an endemic infectious disease caused by Trypanosoma brucei via the bite of tsetse-fly. Most of the drugs used for the treatment, e.g., Suramin, have shown several problems, including the high level of toxicity. Accordingly, the discovery of anti-trypanosomal drugs from natural sources has become an urgent requirement. In our previous study on the anti-trypanosomal potential of Euphorbia species, Euphorbia abyssinica displayed significant anti-trypanosomal activity. Therefore, a phytochemical investigation of the methanolic extract of E. abyssinica was carried out. Twelve compounds, including two triterpenes (1, 2); one sterol-glucoside (4); three ellagic acid derivatives (3, 9, 11); three gallic acid derivatives (5, 6, 10); and three flavonoids (7, 8, 12), were isolated. The structures of isolated compounds were determined through different spectroscopic techniques. Compound (10) was obtained for the first time from genus Euphorbia while all other compounds except compound (4), were firstly reported in E. abyssinica. Consequently, an in silico study was used to estimate the anti-trypanosomal activity of the isolated compounds. Several compounds displayed interesting activity where 1,6-di-O-galloyl-d-glucose (10) appeared as the most potent inhibitor of trypanosomal phosphofructokinase (PFK). Moreover, molecular dynamics (MD) simulations and ADMET calculations were performed for 1,6-di-O-galloyl-d-glucose. In conclusion, 1,6-di-O-galloyl-d-glucose revealed high binding free energy as well as desirable molecular dynamics and pharmacokinetic properties; therefore, it could be suggested for further in vitro and in vivo studies for trypanosomiasis.

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