Potensi Anti Kanker Metabolit Sekunder Jamur Tiram Putih (Pleurotus ostreatus) Terhadap Protein KRAS Pada Kanker Hati Secara In-Silico

Rachmah, Desy Lailatul (2024) Potensi Anti Kanker Metabolit Sekunder Jamur Tiram Putih (Pleurotus ostreatus) Terhadap Protein KRAS Pada Kanker Hati Secara In-Silico. Masters thesis, Institu Teknologi Sepuluh Nopember.

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Abstract

KRAS adalah onkogen yang sangat penting dan mengalami hipermutasi pada berbagai jenis kanker, termasuk HCC (Hepatocellular Carsinoma). Senyawa doxorubicin merupakan salah satu agen kuratif yang banyak digunakan untuk pengobatan chemotherapy berbagai jenis kanker, namun pemberian agen kuratif dengan aktivitas sitotoksik tinggi dapat menimbulkan beberapa efek samping. Senyawa metabolit sekunder memiliki kemampuan anti oksidan meliputi pemutusan rantai radikal bebas dan khelasi ion logam aktif redoks yang menyebabkan peroksidasi lipid. Sifat-sifat ini juga membantu pencegahan kanker. Pleurotus otstreatus memiliki senyawa bioaktif yang berpotensi sebagai antioksidan yaitu gallic acid, flavonol, flavanol, sterol, ergosterol. Karena potensi aktivitas sitotoksik metabolit sekunder tersebut, maka pendekatan bioinformatika diperlukan dalam penelitian ini untuk mengetahui hasil prediksi aktivitas interaksi dari senyawa gallic acid, flavonol, flavanol,sterol,ergosterol terhadap protein KRAS secara in- silico dan mengetahui asam amino dan ikatan yang terlibat dalam interaksi antara senyawa tersebut dengan protein KRAS, sebagai rujukan obat HCC kedepan. Metode yang digunakan yaitu dengan menggunakan perangkat PyRx, Biovia Discovery Studio, Autodock untuk proses docking dan validasi hasil docking. Hasil dari penelitian ini adalah senyawa flavonol memiliki nilai docking sebesar -7.1 kkal/mol; flavanol -6.5 kkal/mol; gallic acid -5.8 kkal/mol; sterol -6.5 kkal/mol; dan ergosterol -7.1 kkal/mol. Asam amino yang terlibat dalam senyawa flavonol yaitu asparagine, tyrosine, serine, leucine ,lysine. Senyawa flavanol yaitu threonine, lysine dan leucine. Pada senyawa gallic acid berikatan pada asam amino leucine, lysine, asparagine dan threonine. Senyawa sterol berikatan pada asam amino tyrosine, valine, phenylalanine, Isoleucine dan glutamine. Sedangkan senyawa ergosterol berikatan dengan asam amino tyrosine, Isoleucine, dan asparagine.
Kata Kunci : Docking, Jamur, Kanker Hati, Metabolit Sekunder
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KRAS is a very important oncogene and undergoes hypermutation in various types of cancer, including HCC (Hepatocellular Carcinoma). Doxorubicin compound is one of the curative agents widely used for chemotherapy treatment of various types of cancer, but administration of curative agents with high cytotoxic activity can cause several side effects. Secondary metabolite compounds have antioxidant properties including free radical chain cleavage and chelation of redox-active metal ions that cause lipid peroxidation. These properties also help prevent cancer. Pleurotus otstreatus has bioactive compounds that have the potential as antioxidants, namely gallic acid, flavonol, flavanol, sterol, ergosterol. Due to the potential cytotoxic activity of these secondary metabolites, a bioinformatics approach is needed in this study to determine the results of the predicted interaction activity of gallic acid, flavonol, flavanol, sterol, ergosterol compounds against KRAS protein in-silico and to determine the amino acids and bonds involved in the interaction between these compounds and KRAS protein, as a reference for future HCC drugs. The method used is by using the PyRx device, Biovia Discovery Studio, Autodock for the docking process and validation of docking results. The results of this study are that flavonol compounds have a docking value of -7.1 kcal / mol; flavanol -6.5 kcal / mol; gallic acid -5.8 kcal / mol; sterol -6.5 kcal / mol; and ergosterol -7.1 kcal / mol. The amino acids involved in flavonol compounds are asparagine, tyrosine, serine, leucine, lysine. Flavanol compounds are threonine, lysine and leucine. In gallic acid compounds bind to the amino acids leucine, lysine, asparagine and threonine. Sterol compounds bind to the amino acids tyrosine, valine, phenylalanine, Isoleucine and glutamine. Meanwhile, the ergosterol compound binds to the amino acids tyrosine, isoleucine, and asparagine.
Key Words : Carcinoma cell, Docking, Fungi, Secondary Metabolites

Item Type:	Thesis (Masters)
Uncontrolled Keywords:	Docking, Jamur, Kanker Hati, Metabolit Sekunder,Carcinoma cell, Docking, Fungi, Secondary Metabolites
Subjects:	Q Science > QH Biology > QH301 Biology
Divisions:	Faculty of Science and Data Analytics (SCIENTICS) > Biology > 46101-(S2) Master Thesis
Depositing User:	Desy Lailatul Rachmah
Date Deposited:	13 Aug 2024 07:26
Last Modified:	13 Aug 2024 07:26
URI:	http://repository.its.ac.id/id/eprint/114626

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