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Title: | Analisis In Silico Senyawa Aktif Tanaman Ketepeng Cina (Cassia alata) sebagai Kandidat Anti-Candida. |
Other Titles: | In silico Analysis of Active Compounds in Ketepeng Cina Plant (Cassia alata) as an Anti-Candida Candidate |
Authors: | Manalu, Wasmen Purwono, Rini Madyastuti Esha, Dina Mutiara |
Issue Date: | 2024 |
Publisher: | IPB University |
Abstract: | Penelitian ini mengevaluasi potensi senyawa aktif dari tanaman ketepeng cina (Cassia alata) sebagai kandidat obat anti-candida menggunakan pendekatan in silico. Studi ini bertujuan mengidentifikasi dan menganalisis interaksi senyawa aktif asal ekstrak tanaman ketepeng cina dan menginteraksikannya dengan enzim lanosterol 14a-demetilase, yang merupakan target utama dalam terapi infeksi candidiasis. Metode yang digunakan meliputi penambatan molekuler (molecular docking) untuk menentukan afinitas dan stabilitas interaksi ligan dengan reseptor. Hasil menunjukkan bahwa senyawa stigmasterol berpotensi sebagai inhibitor enzim lanosterol 14a-demetilase. Stigmasterol mampu berinteraksi dengan sisi aktif Tyr126 pada reseptor dengan nilai energi afinitas yang lebih negatif dibandingkan dengan gentian violet sebagai ligan pembanding. This study evaluates the potential of active compounds from the ketepeng cina (Cassia alata) plant as an anti-candida drug candidates using an in silico approach. The study aims to identify and analyze the interactions of active compounds from ketepeng cina extract and the enzyme lanosterol 14a-demethylase, a primary target in candidiasis therapy. The methods used include molecular docking to determine the affinity and stability of ligand-receptor interactions. The results indicate that stigmasterol compound has potential as inhibitor of the lanosterol 14a-demethylase enzyme. Stigmasterol can interact with the active site Tyr126 on the receptor with more negative affinity energy values compared to gentian violet as the reference ligand. |
URI: | http://repository.ipb.ac.id/handle/123456789/153647 |
Appears in Collections: | UT - Anatomy, Phisiology and Pharmacology |
Files in This Item:
File | Description | Size | Format | |
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cover_B0401201103_04838e953c7543eda7bc2baa88f01de4.pdf | Cover | 2.33 MB | Adobe PDF | View/Open |
fulltext_B0401201103_974ddaab603e484b9fda79a96773042d.pdf Restricted Access | Fulltext | 3.27 MB | Adobe PDF | View/Open |
lampiran_B0401201103_be293b45131442109724f111b718e555.pdf Restricted Access | Lampiran | 435.07 kB | Adobe PDF | View/Open |
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