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Gaceta Médica Boliviana
versão impressa ISSN 1012-2966versão On-line ISSN 2227-3662
Resumo
MARTINEZ-OLIVA, Brenda Gisela; BELLO-KOPA, Dayana Pamela e GRADOS-TORREZ, Ricardo Enrique. Sapogenins from Chenopodium quinoa Willd as potential activators of AMPKβ2 for insulin-independent glucose homeostasis. Gac Med Bol [online]. 2023, vol.46, n.1, pp.6-13. Epub 01-Jun-2023. ISSN 1012-2966. https://doi.org/10.47993/gmb.v46i1.612.
The AMPKP2 (AMP-activated protein kinase) isoform promotes glycemic homeostasis through an insulin-independent mechanism. Many glucose "importers" such as SC4 act as AMPK activators, but their prolonged consumption is associated with undesirable effects.
Objetive:
in this work, molecular docking was used to analyze the possible interaction between sapogenins and AMPK.
Methods:
the preparation of the protein blanks, preparation of the ligands and molecular coupling have been carried out.
Results:
the results showed that eight sapogenins present in Chenopodium quinoa interact at the same binding site as SC4 corresponding to the ADaM site of AMPK. These interactions scored ΔG values ranging from -6.2 to -7.7 kcal/mol, with Serjanic acid being the sapogenin with the lowest ΔG. The addition of hydrophilic groups such as -OH and -COOH in the chemical structure of Serjanic acid improved its binding affinity to the AMPKβ2 isoform opening the possibility of generating semi-synthetic drugs from natural compounds with higher biological activity and better specificity.
Palavras-chave : sapogenins; chenopodium quinoa; AMP-activated protein kinase kinases; insulin.
