Jurnal Kedokteran Komunitas (Journal of Community Medicine)
Vol 9, No 2 (2021)

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

Rizky Fajar Imam Asshiddiq (Unknown)
Arif Yahya (Unknown)
Rio Risandiansyah (Unknown)



Article Info

Publish Date
05 Jun 2021

Abstract

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.

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Journal Info

Abbrev

jkkfk

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Education Immunology & microbiology Medicine & Pharmacology Public Health

Description

Jurnal Kedokteran Komunitas merupakan salah satu jenis jurnal akademik bidang kedokteran atau kesehatan di mana penulis mempublikasikan artikel ilmiah hasil penelitian maupun kajian. Artikel ilmiah ini juga mencangkup hasil-hasil penelitian terbaru dan tulisan ilmiah lainnya di bidang biomedis, ...