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FITOFARMAKA Jurnal Ilmiah Farmasi
Article . 2021 . Peer-reviewed
License: CC BY NC SA
Data sources: Crossref
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DOCKING SENYAWA AGLIKON KURKULIGOSIDA A DAN TURUNANNYA TERHADAP ENZIM ALDOSA REDUKTASE

Authors: Nursamsiar Nursamsiar; Achnis Akbar Jum; Rahmad Aksa; Marwati Marwati; Syamsu Nur;

DOCKING SENYAWA AGLIKON KURKULIGOSIDA A DAN TURUNANNYA TERHADAP ENZIM ALDOSA REDUKTASE

Abstract

Senyawa aglikon kurkuligosida A memiliki kemiripan struktur dengan butein yang memiliki aktivitas penghambatan terhadap aldosa reduktase, sebagai salah satu target terapi komplikasi diabetes. Penelitian ini bertujuan untuk mengetahui interaksi antara senyawa aglikon kurkuligosida A dan turunannya terhadap enzim aldosa reduktase dengan metode docking molekuler. Docking dilakukan dengan menggunakan program AutoDock 4.2, dengan menambatkan senyawa aglikon kurkuligosida A dan turunannya pada sisi aktif aldosa reduktase secara in silico. Hasil docking menunjukkan senyawa turunan aglikon kurkuligosida A dapat berinteraksi dengan sisi aktif. Interaksi terbaik ditunjukkan oleh senyawa 36 (3,5-dihidroksibensil-3-bromobensoat), senyawa 39 (3,5-dihidroksibensil-4-nitrobensoat), senyawa 52 (4-hidroksibensil-4-nitrobensoat) dengan nilai energi bebas ikatan berturut-turut -10.09 kkal/mol, -10.07 kkal/mol, dan -10.33 kkal/mol yang berinteraksi dengan residu asam amino penting pada aldosa reduktase dan memiliki ikatan hidrogen yang sama pada Tyr48, His110 dan Trp111 dengan menggunakan ligan alami [2-(4-bromo-2-fluoro-benzylthiocarbamoyl)-5-fluoro-phenoxy]-acetic acid sebagai pembanding.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average
gold