Alpha-glucosidase activity of phytochemicals from Phyllanthus amarus leaves via in-silico approaches
Diabetes mellitus is a metabolic disease that poses a serious global health challenge. The provision of alternative and complementary medicine to combat the disease has attracted the attention of numerous scientists. In this study, anti- α-glucosidase activities of selected seven compounds obtained...
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| Format: | Article |
| Language: | English |
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Elsevier
2022-03-01
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| Series: | Pharmacological Research - Modern Chinese Medicine |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S266714252200015X |
| _version_ | 1818775362463596544 |
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| author | Abel K. Oyebamiji Emmanuel A. Soetan Sunday A. Akintelu Ademola O. Ayeleso Emmanuel Mukwevho |
| author_facet | Abel K. Oyebamiji Emmanuel A. Soetan Sunday A. Akintelu Ademola O. Ayeleso Emmanuel Mukwevho |
| author_sort | Abel K. Oyebamiji |
| collection | DOAJ |
| description | Diabetes mellitus is a metabolic disease that poses a serious global health challenge. The provision of alternative and complementary medicine to combat the disease has attracted the attention of numerous scientists. In this study, anti- α-glucosidase activities of selected seven compounds obtained from Phyllanthus amarus leaves were explored using computational chemistry approach. The absorption, distribution, metabolism and excretion (ADME) properties of the compound with the best binding affinity and metformin were examined. The descriptors obtained from the optimized compounds accurately describe anti- α-glucosidase activities of the studied compounds. The results showed that Compound 1[(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15] tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate possesses greater capacity to inhibit α-glucosidase than other studied compounds selected from Phyllanthus amarus leaves as well as Metformin. |
| first_indexed | 2024-12-18T10:55:50Z |
| format | Article |
| id | doaj.art-8442054e5dc94b2b986454297948b934 |
| institution | Directory Open Access Journal |
| issn | 2667-1425 |
| language | English |
| last_indexed | 2024-12-18T10:55:50Z |
| publishDate | 2022-03-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Pharmacological Research - Modern Chinese Medicine |
| spelling | doaj.art-8442054e5dc94b2b986454297948b9342022-12-21T21:10:20ZengElsevierPharmacological Research - Modern Chinese Medicine2667-14252022-03-012100054Alpha-glucosidase activity of phytochemicals from Phyllanthus amarus leaves via in-silico approachesAbel K. Oyebamiji0Emmanuel A. Soetan1Sunday A. Akintelu2Ademola O. Ayeleso3Emmanuel Mukwevho4Department of Basic Sciences, Adeleke University, P.M.B. 250, Ede, Osun, Nigeria; Corresponding authors.Department of Basic Sciences, Adeleke University, P.M.B. 250, Ede, Osun, NigeriaSchool of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100811, ChinaDepartment of Biochemistry, Faculty of Science, Adeleke University, Osun, NigeriaDepartment of Biochemistry, Faculty of Natural and Agricultural Science, Mafikeng Campus, North West University, Mmabatho 2735, South Africa; Corresponding authors.Diabetes mellitus is a metabolic disease that poses a serious global health challenge. The provision of alternative and complementary medicine to combat the disease has attracted the attention of numerous scientists. In this study, anti- α-glucosidase activities of selected seven compounds obtained from Phyllanthus amarus leaves were explored using computational chemistry approach. The absorption, distribution, metabolism and excretion (ADME) properties of the compound with the best binding affinity and metformin were examined. The descriptors obtained from the optimized compounds accurately describe anti- α-glucosidase activities of the studied compounds. The results showed that Compound 1[(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15] tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate possesses greater capacity to inhibit α-glucosidase than other studied compounds selected from Phyllanthus amarus leaves as well as Metformin.http://www.sciencedirect.com/science/article/pii/S266714252200015Xα-glucosidasePhyllanthus amarusDiabetesDockingADME |
| spellingShingle | Abel K. Oyebamiji Emmanuel A. Soetan Sunday A. Akintelu Ademola O. Ayeleso Emmanuel Mukwevho Alpha-glucosidase activity of phytochemicals from Phyllanthus amarus leaves via in-silico approaches Pharmacological Research - Modern Chinese Medicine α-glucosidase Phyllanthus amarus Diabetes Docking ADME |
| title | Alpha-glucosidase activity of phytochemicals from Phyllanthus amarus leaves via in-silico approaches |
| title_full | Alpha-glucosidase activity of phytochemicals from Phyllanthus amarus leaves via in-silico approaches |
| title_fullStr | Alpha-glucosidase activity of phytochemicals from Phyllanthus amarus leaves via in-silico approaches |
| title_full_unstemmed | Alpha-glucosidase activity of phytochemicals from Phyllanthus amarus leaves via in-silico approaches |
| title_short | Alpha-glucosidase activity of phytochemicals from Phyllanthus amarus leaves via in-silico approaches |
| title_sort | alpha glucosidase activity of phytochemicals from phyllanthus amarus leaves via in silico approaches |
| topic | α-glucosidase Phyllanthus amarus Diabetes Docking ADME |
| url | http://www.sciencedirect.com/science/article/pii/S266714252200015X |
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