Complex Compound with Transitional Metal of AkwayBark (Drimys piperitaHook F.) as Low Molecular Weight Scavenging Antioxidant: A Computational Study
Akway(Drimys piperitaHook f.) was known as an endogenous plant of Indonesia. This plant was investigated as a free radical scavenger based on paramagnetic prop-erties. This study aimed to identify the bioactive compound and the role of Fe metals ions to enhance the free radical scavenger capac...
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| Format: | Article |
| Language: | English |
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University of Brawijaya
2021-09-01
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| Series: | Journal of Tropical Life Science |
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| Online Access: | https://jtrolis.ub.ac.id/index.php/jtrolis/article/view/1528/pdf |
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| author | Hostalige Hutasoit Dionysius Joseph Djoko Herry Santjojo Sutiman Bambang Sumitro Simon Bambang Widjanarko |
| author_facet | Hostalige Hutasoit Dionysius Joseph Djoko Herry Santjojo Sutiman Bambang Sumitro Simon Bambang Widjanarko |
| author_sort | Hostalige Hutasoit |
| collection | DOAJ |
| description | Akway(Drimys piperitaHook f.) was known as an endogenous plant of Indonesia. This plant was investigated as a free radical scavenger based on paramagnetic prop-erties. This study aimed to identify the bioactive compound and the role of Fe metals ions to enhance the free radical scavenger capacity as Low molecular weight antioxi-dant (LWMA) of akway. This study was designed by ultra-performance liquid chro-matography (UPLC) coupled with ultra-high-resolution time of flight-mass spectrom-etry detector (TOF-MS), docking (Pyrex and Discovery Studio 2016 Client) and phar-macokinetic properties prediction (SwissADME). UPLC-TOF-MS analysis showed that herbal akwaybark has five molecular formula (C4H3N10O21-, C14H19N4O91-, C4H7N6O51-, C15H28NO31+, and C23H32NO71+). The docking was illustrated the com-plex binding akwayformula with Fe and its role as a metal donor and metal acceptor. It also confirmed on pharmacokinetics properties prediction which molecular com-pounds of akwayhave aqueous solubility. It meant the herbal akwaybark complexed to Fe could be a low molecular weight antioxidant and it could be escalated free radical scavenger capacity |
| first_indexed | 2024-03-09T06:56:31Z |
| format | Article |
| id | doaj.art-dc026de5532a47948b84cda6d7e6ed76 |
| institution | Directory Open Access Journal |
| issn | 2087-5517 |
| language | English |
| last_indexed | 2024-03-09T06:56:31Z |
| publishDate | 2021-09-01 |
| publisher | University of Brawijaya |
| record_format | Article |
| series | Journal of Tropical Life Science |
| spelling | doaj.art-dc026de5532a47948b84cda6d7e6ed762023-12-03T10:03:27ZengUniversity of BrawijayaJournal of Tropical Life Science2087-55172021-09-01113267274http://dx.doi.org/10.11594/jtls.11.03.02Complex Compound with Transitional Metal of AkwayBark (Drimys piperitaHook F.) as Low Molecular Weight Scavenging Antioxidant: A Computational StudyHostalige Hutasoit0Dionysius Joseph Djoko Herry Santjojo1Sutiman Bambang Sumitro2Simon Bambang Widjanarko3Department of Food Science and Technology, Faculty of Agricultural, Brawijaya University,Malang65145, IndonesiaDepartment of Physics, Faculty of Mathematics and Natural Science, Brawiaya University,Malang 65145,IndonesiaDepartment of Biology, Faculty of Mathematics and Natural Science, Brawijaya University, Malang65145,IndonesiaDepartment of Food Science and Technology, Faculty of Agricultural, Brawijaya University,Malang65145, IndonesiaAkway(Drimys piperitaHook f.) was known as an endogenous plant of Indonesia. This plant was investigated as a free radical scavenger based on paramagnetic prop-erties. This study aimed to identify the bioactive compound and the role of Fe metals ions to enhance the free radical scavenger capacity as Low molecular weight antioxi-dant (LWMA) of akway. This study was designed by ultra-performance liquid chro-matography (UPLC) coupled with ultra-high-resolution time of flight-mass spectrom-etry detector (TOF-MS), docking (Pyrex and Discovery Studio 2016 Client) and phar-macokinetic properties prediction (SwissADME). UPLC-TOF-MS analysis showed that herbal akwaybark has five molecular formula (C4H3N10O21-, C14H19N4O91-, C4H7N6O51-, C15H28NO31+, and C23H32NO71+). The docking was illustrated the com-plex binding akwayformula with Fe and its role as a metal donor and metal acceptor. It also confirmed on pharmacokinetics properties prediction which molecular com-pounds of akwayhave aqueous solubility. It meant the herbal akwaybark complexed to Fe could be a low molecular weight antioxidant and it could be escalated free radical scavenger capacityhttps://jtrolis.ub.ac.id/index.php/jtrolis/article/view/1528/pdfakwayantioxidantendogenous plantherbal medicinemetal acceptormetal donormolecular formula |
| spellingShingle | Hostalige Hutasoit Dionysius Joseph Djoko Herry Santjojo Sutiman Bambang Sumitro Simon Bambang Widjanarko Complex Compound with Transitional Metal of AkwayBark (Drimys piperitaHook F.) as Low Molecular Weight Scavenging Antioxidant: A Computational Study Journal of Tropical Life Science akway antioxidant endogenous plant herbal medicine metal acceptor metal donor molecular formula |
| title | Complex Compound with Transitional Metal of AkwayBark (Drimys piperitaHook F.) as Low Molecular Weight Scavenging Antioxidant: A Computational Study |
| title_full | Complex Compound with Transitional Metal of AkwayBark (Drimys piperitaHook F.) as Low Molecular Weight Scavenging Antioxidant: A Computational Study |
| title_fullStr | Complex Compound with Transitional Metal of AkwayBark (Drimys piperitaHook F.) as Low Molecular Weight Scavenging Antioxidant: A Computational Study |
| title_full_unstemmed | Complex Compound with Transitional Metal of AkwayBark (Drimys piperitaHook F.) as Low Molecular Weight Scavenging Antioxidant: A Computational Study |
| title_short | Complex Compound with Transitional Metal of AkwayBark (Drimys piperitaHook F.) as Low Molecular Weight Scavenging Antioxidant: A Computational Study |
| title_sort | complex compound with transitional metal of akwaybark drimys piperitahook f as low molecular weight scavenging antioxidant a computational study |
| topic | akway antioxidant endogenous plant herbal medicine metal acceptor metal donor molecular formula |
| url | https://jtrolis.ub.ac.id/index.php/jtrolis/article/view/1528/pdf |
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