In silico study of Impatiens balsamina L. for the screening of bioactive compounds as novel matrix metalloproteinase-1 inhibitor against photoaging
Photoaging is skin aging caused by exposure to UV rays, which increases the expression of matrix metalloproteinase-1 (MMP-1). The photoaging process is related to the degradation of collagen types I and III in the extracellular matrix by MMP-1, which causes wrinkles on the skin. MMP-1 inhibitors fro...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Universitas Brawijaya, Fakultas Teknologi Pertanian
2023-09-01
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| Series: | Advances in Food Science, Sustainable Agriculture, and Agroindustrial Engineering |
| Subjects: | |
| Online Access: | https://afssaae.ub.ac.id/index.php/afssaae/article/view/8885/207 |
| _version_ | 1797662897098194944 |
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| author | Sindi Fujiyanti Mochamad Nurcholis |
| author_facet | Sindi Fujiyanti Mochamad Nurcholis |
| author_sort | Sindi Fujiyanti |
| collection | DOAJ |
| description | Photoaging is skin aging caused by exposure to UV rays, which increases the expression of matrix metalloproteinase-1 (MMP-1). The photoaging process is related to the degradation of collagen types I and III in the extracellular matrix by MMP-1, which causes wrinkles on the skin. MMP-1 inhibitors from natural products have the potency as anti-photoaging. This study aims to screen the potency of bioactive compounds from Impatiens balsamina L. as MMP-1 inhibitors through in silico studies. The best test ligands were selected based on bioavailability, pharmacokinetics, toxicity, and molecular docking tests against the target protein MMP-1 (PDB ID: 1HFC) compared to that of control ligands (PLH and doxycycline). Peonidin, kaempferol, and pelargonidin were selected as the best test ligands because they accomplish the characteristics of bioavailability, pharmacokinetics, and toxicity. Based on molecular docking results, those test ligands have better binding affinity than that of control ligands, as indicated by rerank scores of -108.807 kcal/mol, -99.9796 kcal/mol, and -98.9128 kcal/mol, respectively. Those test ligands also formed the same interactions with control ligands at residues Ala182, Asn180, Glu219, and Leu181. The results suggest peonidin, kaempferol, and pelargonidin were candidates for anti-photoaging agents through MMP-1 inhibition. |
| first_indexed | 2024-03-11T19:06:45Z |
| format | Article |
| id | doaj.art-e0778de2a7e749cba277ef76fba18566 |
| institution | Directory Open Access Journal |
| issn | 2622-5921 |
| language | English |
| last_indexed | 2024-03-11T19:06:45Z |
| publishDate | 2023-09-01 |
| publisher | Universitas Brawijaya, Fakultas Teknologi Pertanian |
| record_format | Article |
| series | Advances in Food Science, Sustainable Agriculture, and Agroindustrial Engineering |
| spelling | doaj.art-e0778de2a7e749cba277ef76fba185662023-10-10T07:36:29ZengUniversitas Brawijaya, Fakultas Teknologi PertanianAdvances in Food Science, Sustainable Agriculture, and Agroindustrial Engineering2622-59212023-09-016325326610.21776/ub.afssaae.2023.006.03.5In silico study of Impatiens balsamina L. for the screening of bioactive compounds as novel matrix metalloproteinase-1 inhibitor against photoagingSindi Fujiyanti0Mochamad Nurcholis1Universitas BrawijayaUniversitas BrawijayaPhotoaging is skin aging caused by exposure to UV rays, which increases the expression of matrix metalloproteinase-1 (MMP-1). The photoaging process is related to the degradation of collagen types I and III in the extracellular matrix by MMP-1, which causes wrinkles on the skin. MMP-1 inhibitors from natural products have the potency as anti-photoaging. This study aims to screen the potency of bioactive compounds from Impatiens balsamina L. as MMP-1 inhibitors through in silico studies. The best test ligands were selected based on bioavailability, pharmacokinetics, toxicity, and molecular docking tests against the target protein MMP-1 (PDB ID: 1HFC) compared to that of control ligands (PLH and doxycycline). Peonidin, kaempferol, and pelargonidin were selected as the best test ligands because they accomplish the characteristics of bioavailability, pharmacokinetics, and toxicity. Based on molecular docking results, those test ligands have better binding affinity than that of control ligands, as indicated by rerank scores of -108.807 kcal/mol, -99.9796 kcal/mol, and -98.9128 kcal/mol, respectively. Those test ligands also formed the same interactions with control ligands at residues Ala182, Asn180, Glu219, and Leu181. The results suggest peonidin, kaempferol, and pelargonidin were candidates for anti-photoaging agents through MMP-1 inhibition.https://afssaae.ub.ac.id/index.php/afssaae/article/view/8885/207in silicoimpatiens balsamina l.matrix metalloproteinase-1photoaging |
| spellingShingle | Sindi Fujiyanti Mochamad Nurcholis In silico study of Impatiens balsamina L. for the screening of bioactive compounds as novel matrix metalloproteinase-1 inhibitor against photoaging Advances in Food Science, Sustainable Agriculture, and Agroindustrial Engineering in silico impatiens balsamina l. matrix metalloproteinase-1 photoaging |
| title | In silico study of Impatiens balsamina L. for the screening of bioactive compounds as novel matrix metalloproteinase-1 inhibitor against photoaging |
| title_full | In silico study of Impatiens balsamina L. for the screening of bioactive compounds as novel matrix metalloproteinase-1 inhibitor against photoaging |
| title_fullStr | In silico study of Impatiens balsamina L. for the screening of bioactive compounds as novel matrix metalloproteinase-1 inhibitor against photoaging |
| title_full_unstemmed | In silico study of Impatiens balsamina L. for the screening of bioactive compounds as novel matrix metalloproteinase-1 inhibitor against photoaging |
| title_short | In silico study of Impatiens balsamina L. for the screening of bioactive compounds as novel matrix metalloproteinase-1 inhibitor against photoaging |
| title_sort | in silico study of impatiens balsamina l for the screening of bioactive compounds as novel matrix metalloproteinase 1 inhibitor against photoaging |
| topic | in silico impatiens balsamina l. matrix metalloproteinase-1 photoaging |
| url | https://afssaae.ub.ac.id/index.php/afssaae/article/view/8885/207 |
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