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Potensi Antiadhesi Senyawa Aktif Hibiscus sabdariffa L Pada Penghambatan Protein Target IcsA Shigella flexneri Melalui Studi in Silico Molecular Docking

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Title Potensi Antiadhesi Senyawa Aktif Hibiscus sabdariffa L Pada Penghambatan Protein Target IcsA Shigella flexneri Melalui Studi in Silico Molecular Docking
 
Creator Fajar Imam Asshiddiq, Rizky
Yahya, Arif
Risandiansyah, Rio
 
Description Introduction: Diarrhea in Indonesia is a disease with a high prevalence, one of which is caused by S. flexneri infection through exposure, adhesion, invasion and colonization process. H. sabdariffa L is one of the herbs that has anti-adhesion potential, however, the anti-adhesion potential of this herb against S. flexneri is still unknown. The adhesion of S. flexneri to host cells is mediated by IcsA, so this study was conducted to determine whether H. sabdariffa L could bind to the target protein IcsA S. flexneri.Methods: This study used the In silico molecular docking method by tethering the 3D structure of 25 active compounds from H. sabdariffa L obtained from Pubchem, and target protein IcsA S. flexneri (5KE1) obtained from RCSB using a docking server with Ciprofloxacine as control.Results: H. sabdariffa L compound has better affinity than Ciprofloxacine. The five compounds with the best free bond energy values are Quercetin-3-rutinoside (-9.21 kcal/mol), Leucoside (kaempferol-3-O-sambioside) (-8.83 kcal/mol), Quercetine-3-glucoside (-8.23 kcal/mol), Tiliroside (-7.86 kcal/mol), Caffeoylquinic acid isomer (Isochlorogenic acid (-7.43 kcal/mol), the value of the inhibition constanta is 178.61 nM, 337.61 nM, 924.29 nM, 1.15 uM, dan 1.69 uM, the value of the surface interactions is 525.416 Å, 751.689 Å, 564.99 Å, 803.103 Å, 572.111 Å, and the number of amino acid residues is 3,9,5,9,8.Conclusion: Quercetine-3-rutinoside, Leucoside (kaempferol-3-O-sambioside), Quercetine-3-glucoside, Tiliroside, Caffeoylquinic acid isomer (Isochlorogenic) can bind to S. flexneri and has the potential to be used as an anti-adhesion.Keywords: Antiadhesion, Hibiscus sabdariffa, Shigella flexneri, Fluoroquinolone ciprofloxacine, in silico.
 
Publisher Jurnal Kedokteran Komunitas
Jurnal Kedokteran Komunitas
 
Contributor —
 
Date 2021-06-05
 
Type info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Peer-reviewed Article
 
Format application/pdf
 
Identifier http://riset.unisma.ac.id/index.php/jkkfk/article/view/11127
 
Source Jurnal Kedokteran Komunitas; Vol 9, No 2 (2021)
Jurnal Kedokteran Komunitas; Vol 9, No 2 (2021)
 
Language eng
 
Relation http://riset.unisma.ac.id/index.php/jkkfk/article/view/11127/8679
 
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