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Metabolites in Conocarpus erectus leaves attenuate α-amylase activity by modulating amino acid residues of α-amylase: an in vitro and docking study / Los metabolitos en las hojas de Conocarpus erectus atenúan la actividad de la α-amilasa al modular los residuos de aminoácidos de la α-amilasa: un estudio in vitro y de acoplamiento
Raza, Syed Ali; Rashid Ch, Ayoub; Mumtaz, Muhammad Waseem; Bashir, Sadia; Ahmad, Maqsood; Touqeer, Tooba; Mukhtar, Hamid; Akhtar, Muhammad Tayyab; Ali, Sajed; William, James.
  • Raza, Syed Ali; Government College University. Department of Chemistry. Lahore. PK
  • Rashid Ch, Ayoub; Government College University. Department of Chemistry. Lahore. PK
  • Mumtaz, Muhammad Waseem; Universityof Gujrat. Department of Chemistry. PK
  • Bashir, Sadia; University of Education. Division of Science and Technology. PK
  • Ahmad, Maqsood; Balochistan University of Information Technology. Department of Environment Science. Quetta. PK
  • Touqeer, Tooba; Universityof Gujrat. Department of Chemistry. PK
  • Mukhtar, Hamid; Government College University. Institute of Industrial Biotechnology. Lahore. PK
  • Akhtar, Muhammad Tayyab; Government College University. Institute of Industrial Biotechnology. Lahore. PK
  • Ali, Sajed; University of Management and Technology. Department of Biotechnology. Sialkot. PK
  • William, James; Government College University. Department of Chemistry. Lahore. PK
Bol. latinoam. Caribe plantas med. aromát ; 21(3): 352-364, mayo 2022. ilus, tab
Article in English | LILACS | ID: biblio-1396915
ABSTRACT
The antioxidant activity and the inhibitory potential of α-amylase of lyophilized hydroethanolic extracts of Conocarpus erectus leaves obtained by ultrasonication were determined. The most potent extract was subjected to ultra-high performance liquid chromatography system equipped with mass spectrometer for metabolite identification. The identified metabolites were docked in α-glucosidase to assess their binding mode. The results revealed that 60% ethanolic extract exhibited highest ferric reducing antioxidant power (4.08 ± 0.187 mg TE/g DE) and α-amylase inhibition (IC50 58.20 ± 1.25 µg/mL. The metabolites like ellagic acid, 3-O-methyl ellagic acid, ferujol, 5, 2 ́-dihydroxy-6,7,8-trimethyl flavone and kaempferol glucoside were identified in the extract and subjected to molecular docking studies regarding α-amylase inhibition. The comparison of binding affinities revealed 3-O-methyl ellagic acid as most effective inhibitor of α-amylase with binding energy of -14.5911 kcal/mol comparable to that of acarbose (-15.7815 kcal/mol). The secondary metabolites identified in the study may be extended further for functional food development with antidiabetic properties.
RESUMEN
Se determinó la actividad antioxidante y el potencial inhibidor de la α-amilasa de extractos hidroetanólicos liofilizados de hojas de Conocarpus erectus obtenidos por ultrasónicación. El extracto más potente se sometió a un sistema de cromatografía líquida de ultra alto rendimiento equipado con un espectrómetro de masas para la identificación de metabolitos. Los metabolitos identificados se acoplaron en α-glucosidasa para evaluar su modo de unión. Los resultados revelaron que el extracto etanólico al 60% exhibió el mayor poder antioxidante reductor férrico (4.08 ± 0.187 mg TE/g DE) e inhibición de la α-amilasa (IC50 58.20 ± 1.25 µg/mL. Los metabolitos como el ácido elágico, 3-O-metil elágico ácido, ferujol, 5, 2 ́-dihidroxi-6,7,8-trimetil flavona y kaempferol glucósido se identificaron en el extracto y se sometieron a estudios de acoplamiento molecular con respecto a la inhibición de la α-amilasa. La comparación de las afinidades de unión reveló 3-O-metil El ácido elágico como inhibidor más eficaz de la α-amilasa con una energía de unión de -14,5911 kcal/mol comparable a la de la acarbosa (-15,7815 kcal/mol). Los metabolitos secundarios identificados en el estudio pueden ampliarse aún más para el desarrollo funcional de alimentos con propiedades antidiabéticas.
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Full text: Available Index: LILACS (Americas) Main subject: Plant Extracts / Alpha-Amylases / Myrtales / Antioxidants Language: English Journal: Bol. latinoam. Caribe plantas med. aromát Journal subject: Botany / Medicine / Plantas Medicinais / Terapias Complementares Year: 2022 Type: Article Affiliation country: Pakistan Institution/Affiliation country: Balochistan University of Information Technology/PK / Government College University/PK / University of Education/PK / University of Management and Technology/PK / Universityof Gujrat/PK

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Full text: Available Index: LILACS (Americas) Main subject: Plant Extracts / Alpha-Amylases / Myrtales / Antioxidants Language: English Journal: Bol. latinoam. Caribe plantas med. aromát Journal subject: Botany / Medicine / Plantas Medicinais / Terapias Complementares Year: 2022 Type: Article Affiliation country: Pakistan Institution/Affiliation country: Balochistan University of Information Technology/PK / Government College University/PK / University of Education/PK / University of Management and Technology/PK / Universityof Gujrat/PK