GC–MS metabolic profiling of Manilkara zapota and in vitro investigation of their anti-diabetic activity supported with molecular docking studies
Abstract Manilkara zapota, commonly known as sapota, is a tropical fruit valued for its rich phytochemical profile. This study investigates the bioactive compounds in sapota (Manilkara zapota) fruit extract, focusing on their potential as anti-diabetic agents. Gas Chromatography–Mass Spectrometry (G...
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2025-04-01
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| author | M. Rajesh S. Ramesh Kumar |
| author_facet | M. Rajesh S. Ramesh Kumar |
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| description | Abstract Manilkara zapota, commonly known as sapota, is a tropical fruit valued for its rich phytochemical profile. This study investigates the bioactive compounds in sapota (Manilkara zapota) fruit extract, focusing on their potential as anti-diabetic agents. Gas Chromatography–Mass Spectrometry (GC–MS) analysis identified 1,2,4-benzenetriol, gallic acid, and chlorogenic acid as the secondary components contributing to significant α-amylase and α-glucosidase inhibitory activity. These enzymes are critical targets in managing type 2 Diabetes mellitus, positioning these compounds as promising candidates for anti-diabetic drug development. The assays used for antidiabetic assessment included the DPPH (2, 2-diphenyl-1-picrylhydrazyl) assay, α-amylase inhibition assay, and α-glucosidase inhibition assay. Based on the results, the mature unripe sapota fruit extract of the PKM-1 variety recorded an IC50 antioxidant activity value of 166.41 µg/mL. The presence of high phenolic content in mature fruit favors antioxidant activity. In the enzyme inhibition assays, the mature unripe sapota fruit of the PKM-1 variety showed IC50 values of 166.41 µg/mL and 138.81 µg/mL for α-amylase and α-glucosidase inhibition, respectively. These values were compared to the standard drug acarbose, which demonstrated better inhibition activity with IC50 values of 49.77 µg/mL and 50.10 µg/mL for the same enzymes. Phytochemical screening of the PKM-1 variety of sapota revealed the presence of over 20 secondary metabolites, including fats, phenolic compounds, organic acids, methyl groups, alkaloids, carbohydrates, glycosides, proteins, amino acids, steroids, flavonoids, and sugars in both unripe and ripe fruit extracts. Specific retention times and peak areas highlighted the concentrations of 1, 2,4-benzenetriol (12.20 μg/mL), chlorogenic acid (26.00 μg/mL), and gallic acid (22.25 μg/mL) in the mature unripe extract. In molecular docking studies, sapota phytochemicals such as malic acid, benzenetriol, gallic acid, and diisooctyl phthalate were used as ligands and interacted with the protein enzymes α-amylase and α-glucosidase. The binding energy values indicated that the lower the binding affinity value, the stronger the binding of the inhibitor to the target protein. Chlorogenic acid was identified as the best inhibitor of both α-glucosidase and α-amylase, with binding affinity values of −7.9 kcal/mol and −8.3 kcal/mol, respectively, outperforming acarbose (−7.9 kcal/mol).The mature sapota fruit of the PKM-1 variety contains various bioactive compounds, including 1,2,4-benzenetriol, chlorogenic acid, and gallic acid, which exhibit antioxidant and anti-diabetic properties. In conclusion, the mature unripe sapota fruit shows significant potential for use as an anti-diabetic agent in the future. |
| format | Article |
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| spelling | doaj-art-e2fb081f6166417f9e76040d6ba218e62025-08-20T02:30:25ZengSpringerDiscover Applied Sciences3004-92612025-04-017511510.1007/s42452-025-06808-6GC–MS metabolic profiling of Manilkara zapota and in vitro investigation of their anti-diabetic activity supported with molecular docking studiesM. Rajesh0S. Ramesh Kumar1Department of Horticulture and Food Science, VIT School of Agricultural Innovations and Advanced Learning (VAIAL), Vellore Institute of TechnologyDepartment of Horticulture and Food Science, VIT School of Agricultural Innovations and Advanced Learning (VAIAL), Vellore Institute of TechnologyAbstract Manilkara zapota, commonly known as sapota, is a tropical fruit valued for its rich phytochemical profile. This study investigates the bioactive compounds in sapota (Manilkara zapota) fruit extract, focusing on their potential as anti-diabetic agents. Gas Chromatography–Mass Spectrometry (GC–MS) analysis identified 1,2,4-benzenetriol, gallic acid, and chlorogenic acid as the secondary components contributing to significant α-amylase and α-glucosidase inhibitory activity. These enzymes are critical targets in managing type 2 Diabetes mellitus, positioning these compounds as promising candidates for anti-diabetic drug development. The assays used for antidiabetic assessment included the DPPH (2, 2-diphenyl-1-picrylhydrazyl) assay, α-amylase inhibition assay, and α-glucosidase inhibition assay. Based on the results, the mature unripe sapota fruit extract of the PKM-1 variety recorded an IC50 antioxidant activity value of 166.41 µg/mL. The presence of high phenolic content in mature fruit favors antioxidant activity. In the enzyme inhibition assays, the mature unripe sapota fruit of the PKM-1 variety showed IC50 values of 166.41 µg/mL and 138.81 µg/mL for α-amylase and α-glucosidase inhibition, respectively. These values were compared to the standard drug acarbose, which demonstrated better inhibition activity with IC50 values of 49.77 µg/mL and 50.10 µg/mL for the same enzymes. Phytochemical screening of the PKM-1 variety of sapota revealed the presence of over 20 secondary metabolites, including fats, phenolic compounds, organic acids, methyl groups, alkaloids, carbohydrates, glycosides, proteins, amino acids, steroids, flavonoids, and sugars in both unripe and ripe fruit extracts. Specific retention times and peak areas highlighted the concentrations of 1, 2,4-benzenetriol (12.20 μg/mL), chlorogenic acid (26.00 μg/mL), and gallic acid (22.25 μg/mL) in the mature unripe extract. In molecular docking studies, sapota phytochemicals such as malic acid, benzenetriol, gallic acid, and diisooctyl phthalate were used as ligands and interacted with the protein enzymes α-amylase and α-glucosidase. The binding energy values indicated that the lower the binding affinity value, the stronger the binding of the inhibitor to the target protein. Chlorogenic acid was identified as the best inhibitor of both α-glucosidase and α-amylase, with binding affinity values of −7.9 kcal/mol and −8.3 kcal/mol, respectively, outperforming acarbose (−7.9 kcal/mol).The mature sapota fruit of the PKM-1 variety contains various bioactive compounds, including 1,2,4-benzenetriol, chlorogenic acid, and gallic acid, which exhibit antioxidant and anti-diabetic properties. In conclusion, the mature unripe sapota fruit shows significant potential for use as an anti-diabetic agent in the future.https://doi.org/10.1007/s42452-025-06808-6α-amylaseα-glucosidaseAntidiabeticBioactive compoundsPhytochemicalsSapota |
| spellingShingle | M. Rajesh S. Ramesh Kumar GC–MS metabolic profiling of Manilkara zapota and in vitro investigation of their anti-diabetic activity supported with molecular docking studies Discover Applied Sciences α-amylase α-glucosidase Antidiabetic Bioactive compounds Phytochemicals Sapota |
| title | GC–MS metabolic profiling of Manilkara zapota and in vitro investigation of their anti-diabetic activity supported with molecular docking studies |
| title_full | GC–MS metabolic profiling of Manilkara zapota and in vitro investigation of their anti-diabetic activity supported with molecular docking studies |
| title_fullStr | GC–MS metabolic profiling of Manilkara zapota and in vitro investigation of their anti-diabetic activity supported with molecular docking studies |
| title_full_unstemmed | GC–MS metabolic profiling of Manilkara zapota and in vitro investigation of their anti-diabetic activity supported with molecular docking studies |
| title_short | GC–MS metabolic profiling of Manilkara zapota and in vitro investigation of their anti-diabetic activity supported with molecular docking studies |
| title_sort | gc ms metabolic profiling of manilkara zapota and in vitro investigation of their anti diabetic activity supported with molecular docking studies |
| topic | α-amylase α-glucosidase Antidiabetic Bioactive compounds Phytochemicals Sapota |
| url | https://doi.org/10.1007/s42452-025-06808-6 |
| work_keys_str_mv | AT mrajesh gcmsmetabolicprofilingofmanilkarazapotaandinvitroinvestigationoftheirantidiabeticactivitysupportedwithmoleculardockingstudies AT srameshkumar gcmsmetabolicprofilingofmanilkarazapotaandinvitroinvestigationoftheirantidiabeticactivitysupportedwithmoleculardockingstudies |