Studi Interaksi Senyawa Turunan Saponin dari Daun Bidara Arab (Ziziphus spina-christi L.) sebagai Antiseptik Alami secara In Silico

Darusman, Fitrianti; Fakih, Taufik Muhammad

doi:10.25077/jsfk.7.3.229-235.2020

Cited by 6 publications

(5 citation statements)

References 11 publications

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“…Bidara Arab is a deciduous shrub plant from the Rhamnaceae family which grows in almost all parts of the Middle East, in Indonesia it grows a lot in the regions of Java and Bali. Various previous scientific studies have found that The main compounds contained in the leaves of this bidara are flavonoids, alkaloids, polyphenols, saponins, triterpenoids, and tannins (Asgarpanah & Haghighat, 2012;Darusman & Fakih, 2020). Other studies also explain that bidara extract exhibits hypoglycemic capacity, treats papulopustular rashes, inhibits sepsisinduced liver and spleen injury, and has strong antioxidant effects and potential as a hepatoprotective, antidiabetic, anti-allergic, anti-inflammatory, antibacterial, and immunomodulator (Al-Ghamdi & Shahat, 2017;Pambudi et al, 2020).…”

Section: Introductionmentioning

confidence: 81%

Effect of Different Solvent on The Antioxidant Capacity of Bidara Leaves Extract (Ziziphus Spina-Christi)

Rialdi,

Prangdimurti,

Saraswati

2023

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Bidara leaves (Ziziphus spina-christi) contains secondary metabolites such as flavonoids, polyphenols, saponins, triterpenoids and tannins which can be a source of antioxidants. In Indonesia, bidara leaves are used as herbal medicine by boiling fresh leaves. The products that developed from bidara leaves are health supplements and herbal teas from bidara leaves, but scientific studies about the antioxidant compounds of bidara leaves are still limited. There are antioxidant components that are non-polar, semi-polar or polar. This study examines the polarity of antioxidant compounds in bidara leaves. In this study, bidara leaves dried with a fluidized bed dryer had better chemical and physical characteristics. The results of the extraction by using various solvents (water, ethanol, ethyl acetate, and hexane) with maceration method showed that the highest antioxidant capacity was in the ethanol fraction (p<0.05). These results were measured based on the antioxidant activity parameters that DPPH scavenging, FRAP values, total phenolic, and total flavonoids. These results indicate that most of antioxidant compounds in bidara leaves have high polarity.

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Section: Introductionmentioning

confidence: 81%

Effect of Different Solvent on The Antioxidant Capacity of Bidara Leaves Extract (Ziziphus Spina-Christi)

Rialdi,

Prangdimurti,

Saraswati

2023

devotion

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Section: B Metodologi Penelitianunclassified

Uji In-Silico Aktivitas Antikanker Paru Senyawa Vanilloid pada Jahe Merah (Zingiber officinale Roscoe.) terhadap Epidermal Growth Factor Receptor (Egfr) Exon 20

Nazala

Herawati

Fakih

2022

BCSP

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Abstract. The anticancer activity of vanilloid compounds in red ginger is thought to have an interaction with the Epidermal Growth Factor Receptor (EGFR) Exon 20 which affects the growth of lung cancer cells. The purpose of this study was to observe the interaction of vanilloid compounds with EGFR Exon 20 and to predict the activity, absorption, distribution and toxicity of vanilloid compounds. All test compounds were optimized by Gauss View software version 5.0.8 and Gaussian version 09, then molecular docking simulations were carried out as well as absorption, distribution and toxicity predictions. Of the 7 vanilloid compounds that were docked, hexahydrocurcumin showed potential as an anticancer compound. Hexahydrocurcumin is declared to meet the requirements of the Lipinski Rule of Five, which means it has good bioavailability. Prediction of absorption and distribution includes the percentage values of Human Intestinal Absorption (HIA), human colon adenocarcinoma (Caco-2), and Plasma Binding Protein (PPB). Toxicity test showed that hexahydrocurcumin compound was mutagenic but not carcinogenic. The molecular docking simulation results showed that the hexahydrocurcumin compound had a better affinity for EGFR Exon 20 compared to other vanilloid compounds. Visualization results showed that hexahydrocurcumin compounds had interactions with amino acid residues Lys129, Leu83, Thr165, Ile10, Asp145, Asp86, Gln31, Phe80, Gln85 and Ala144. The results showed that the hexahydrocurcumin compound had anti-lung cancer candidate activity to EGFR Exon 20 receptor. Abstrak. Aktivitas antikanker senyawa vanilloid pada jahe merah diduga memiliki interaksi dengan Epidermal Growth Factor Receptor (EGFR) Exon 20 yang berperaruh terhadap pertumbuhan sel kanker paru. Tujuan penelitian ini adalah untuk melihat interaksi senyawa vanilloid terhadap EGFR Exon 20 dan mendapatkan prediksi aktivitas, absorpsi, distribusi serta toksisitas senyawa vanilloid. Semua senyawa uji dioptimasi dengan software Gauss View versi 5.0.8 dan Gaussian versi 09 kemudian dilakukan simulasi molecular docking serta prediksi absorpsi, distribusi dan toksisitasnya. Dari 7 senyawa vanilloid yang di dockingkan, hexahydrocurcumin menunjukan potensi sebagai senyawa untuk antikanker. Hexahydrocurcumin dinyatakan memenuhi aturan Lipinski’s Rule of Five yang berarti memiliki bioavailabilitas yang baik. Prediksi absorpsi dan distribusi meliputi nilai persentase Human Intestinal Absorption (HIA), human colon adenocarcinoma (Caco-2), dan Protein Plasma Binding. Pengujian toksisitas menunjukkan bahwa senyawa hexahydrocurcumin bersifat mutagenik namun tidak karsinogenik. Hasil simulasi molecular docking menunjukkan bahwa senyawa hexahydrocurcumin memiliki afinitas yang lebih baik terhadap EGFR Exon 20 dibandingkan dengan senyawa vanilloid lainnya. Hasil visualisasi menunjukkan bahwa senyawa hexahydrocurcumin memiliki interaksi dengan residu asam amino Lys129, Leu83, Thr165, Ile10, Asp145, Asp86, Gln31, Phe80, Gln85 dan Ala144. Hasil yang didapat menunjukkan bahwa senyawa hexahydrocurcumin memiliki potensi untuk dijadikan kandidat anti kanker paru terhadap reseptor EGFR Exon 20.

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“…Tahap kedelapan, hasil molecular docking pada sisi binding site yang didapat dianalisis dengan menggunakan perangkat lunak BIOVIA Discovery Studio Visualizer 2019 yang meliputi interaksi residu asam amino dan afinitas senyawa turunan kurkuminoid dengan reseptor androgen (nilai energi ikatan dan konstanta inhibisi) menggunakan perangkat lunak BIOVIA Discovery Studio Visualizer 2019 (Darusman & Fakih, 2020). Berdasarkan pada hasil Tabel 1. tersebut nilai yang didapat sudah memenuhi syarat sehingga dapat dilakukan simulasi molecular docking.…”

Section: Metode Penelitianunclassified

Studi in Silico Senyawa Turunan Kurkuminoid Terhadap Reseptor Androgen Sebagai Kandidat Terapi Kanker Prostat

Pratama¹,

Meilani

Fakih

2021

JIFF

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Kanker merupakan pertumbuhan sel abnormal yang tidak terkendali di dalam tubuh dan dapat merusak sel normal. Keganasan yang paling sering didiagnosis akibat kanker pada pria ialah kanker prostat. Senyawa turunan kurkuminoid (kurkumin, demestoksikurkumin, dan bisdemetoksikurkumin) diketahui memiliki kemampuan dalam menghambat reseptor androgen. Reseptor androgen ini berperan penting dalam pertumbuhan sel kanker prostat. Tujuan penelitian ini adalah untuk mengetahui afinitas senyawa turunan kurkuminoid yang paling baik terhadap reseptor androgen secara in silico. Penelitian ini menggunakan metode molecular docking dengan tahap awal identifikasi sifat fisikokimia menggunakan server Swiss-ADME, selanjutnya prediksi toksisitas menggunakan perangkat lunak Toxtree versi 3.1.0, optimasi geometri menggunakan perangkat lunak Avogadro versi 1.1.0, validasi dan simulasi molecular docking menggunakan perangkat lunak MGL Tools versi 1.5.6 yang dilengkapi AutoDock Tools versi 4.2, dan pada tahap akhir yaitu analisis hasil molecular docking menggunakan perangkat lunak BIOVIA Discovery Studio Visualizer 2019. Berdasarkan hasil penelitian ini telah berhasil dilakukan uji in silico senyawa turunan kurkuminoid terhadap reseptor androgen. Berdasarkan hasil simulasi molecular docking, senyawa bisdemetoksikurkumin merupakan senyawa yang memiliki afinitas paling baik dibandingkan dengan senyawa lainnya, secara kuantitatif dari hasil docking didapat ikatan energi bebas (∆G) dan konstanta inhibisi (Ki) yang lebih kecil.

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Studi Interaksi Senyawa Turunan Saponin dari Daun Bidara Arab (Ziziphus spina-christi L.) sebagai Antiseptik Alami secara In Silico

Cited by 6 publications

References 11 publications

Effect of Different Solvent on The Antioxidant Capacity of Bidara Leaves Extract (Ziziphus Spina-Christi)

Effect of Different Solvent on The Antioxidant Capacity of Bidara Leaves Extract (Ziziphus Spina-Christi)

Uji In-Silico Aktivitas Antikanker Paru Senyawa Vanilloid pada Jahe Merah (Zingiber officinale Roscoe.) terhadap Epidermal Growth Factor Receptor (Egfr) Exon 20

Studi in Silico Senyawa Turunan Kurkuminoid Terhadap Reseptor Androgen Sebagai Kandidat Terapi Kanker Prostat

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