Uji in silico Aktivitas Sitotoksik dan Toksisitas Senyawa  Turunan N-(Benzoil)-N’- feniltiourea Sebagai  Calon Obat Antikanker

Kesuma, Dini; Siswandono, Siswandono; Purwanto, Bambang; Hardjono, Suko

doi:10.20961/jpscr.v3i1.16266

Cited by 19 publications

(15 citation statements)

References 7 publications

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“…This in silico test is a test carried out by docking molecules by predicting the activity of compounds in the selected target cell, which will later show results in the form of the amount of energy used from the compound to be docking to the receptors, which will display the bond energy value or Rerank Score (RS). The more negative or smaller the energy needed, the more stable the bonds formed, which means the greater the compound's activity (Kesuma et al, 2018).…”

Section: Abstrakmentioning

confidence: 99%

The Effect of Thespesia populnea Against Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase Receptor by Study In Silico

2021

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Indonesia is a country that has abundant natural resources; one of them is the Baru laut plant which is the latest breakthrough because it has an active substance that can be used as an anti-malaria medicine. It is very beneficial because there has been a case of resistance of artemisinin derivatives in Indonesia. The purpose of this study was to determine the potential of active compounds in Baru laut plants (Thespesia populnea (L.) Soland ex. Correa) against the Plasmodium falciparum enoyl acyl carrier protein reductase receptor in P. falciparum through in silico studies. This research is purely experimental using the One-Shot Experimental Study research design method. Observations were only made once between the variables studied through three analyzes, namely prediction analysis of active compound content, prediction analysis of the mechanism of action of active compound content, and prediction analysis of ADME active compound. The study results show that there are three active compounds in Baru laut plants that have antimalarial potential. The three compounds include gossypol, linoleic acid, and beta-sitosterol, have their respective potential in becoming a malaria drug. This study concludes that Baru laut plants have potential as anti-malaria drugs.

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Section: Abstrakmentioning

confidence: 99%

The Effect of Thespesia populnea Against Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase Receptor by Study In Silico

2021

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“…Selain itu JNK juga memiliki potensi terapi yang tepat dalam DMT2 (Cui, Zhang, Zhang, & Xu, 2007). Terapi nutrigenomik pada penderita DMT2 menggunakan kandungan bioaktif tumbuhan yang berasal dari alam diterapkan oleh ebberapa peneliti karena dipercaya memiliki toksisitas yang rendah dan sangat aman bagi kesehatan pengguna (Kesuma, Siswandono, Purwanto, & Hardjono, 2018).…”

Section: P-issn: 2302-2736 E-issn: 2549-9335unclassified

Studi In Silico: Prediksi Potensi 6-shogaol dalam Zingiber officinale sebagai Inhibitor JNK

Tiring¹,

Bare²,

Maulidi

et al. 2019

Al-Kimia

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Type 2 Diabetes Mellitus (T2DM) is a metabolic disease characterized by hyperglycemia and insulin resistance. T2DM therapy against c-Jun N-terminal kinase (JNK) is one of the recovery solutions using bioactive compounds from ginger. 6-shogaol is bioactive compounds of ginger that has antioxidant properties. The purpose of this study is to analyze the potential of 6-shogaol as a JNK inhibitor. JNK protein (ID: 464Y) was obtained from Protein Data Bank (PDB) through 6-shogaol ligand (CID: 5281794) obtained from the PubChem database. Protein docking protein and ligand use Hex 8.0.0 software while visualization and analysis using Discovery Studio client 4.0. The results showed that 6-shogaol was predicted to have potential as a JNK inhibitor. Proving this by finding five amino acid residues (TRY223, LEU210, THR103 ALA214, ARG107) with an energy of -236.29cal/mol. We found the type of hydrogen bonds and the van der waals forces formed. The interaction of ligand and protein successfully inactivates JNK and stops pancreatic β cell dysfunction. 6-shogaol has pharmacological properties as a JNK,T2DM.

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“…Derivat tanaman yang sering digunakan adalah hasil metabolit sekunder yang dihasilkan seperti asam phenolik (Schröter et al, 2019). Penggunaan senyawa kimia yang berasal dari tanaman diharapkan dapat meminimalisir racun serta meningkatkan penyembuhan (Chaudhury et al, 2017;Kesuma, Siswandono, Purwanto, & Hardjono, 2018).…”

Section: Pendahuluanunclassified

Prediksi Asam Kuinat Sebagai Anti-Inflamasi Terhadap COX-2 Secara Virtual

Bare¹,

Kuki²,

Rophi³

et al. 2019

Biota : Jurnal Ilmiah Ilmu-Ilmu Hayati

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Inflamasi merupakan mekanisme pertahanan tubuh terhadap terhadap rangsangan berbahaya, seperti patogen, sel-sel yang rusak, senyawa beracun, atau iradiasi. Selama inflamasi dalam tubuh terdapat COX-2 mediator inflamasi yang peran meningkatkan inflamasi. Sistem imun anti-inflamasi yang mengalami mutasi menyebabkan inflmasi meningkat. Oleh karena itu untuk menurnkannya menggunakan bioaktif alam. Asam kuinat memiliki toksisitas yang sangat rendah dan tidak memberikan efek negatif terhadap organ tubuh manusia. Asam kuinat memiliki potensi yang besar sebagai kandidat obat tertinggi dalam terapi. Akan tetapi kurangnya kajiannya. Penelitian ini bertujuan unutk memprediksi potensi serta menganalisis asam kuinat sebagai agen inflamasi dengan cara menghambat COX-2. Metode yang digunakan terdiri atas pengunduhan protein COX-2 dari protein data bank (PDB) dan asam kuinat diperoleh dari database PubChem, persiapan protein (COX-2) dan ligan (asam Kuinat) dengan program PyRx, analisis interaksi protein dan ligan menggunakan program Hex 8.0.0 dan Discovery Studio client 4. Interaksi antara protein dan ligan menunjukan hasil positif dengan ditemukan 2 domain protein yang berikatan dengan asam kuinat. Protein domain A (GLU140, ASN144, SER143, dan TRP139) dan protein domain B (GLU236, THR237, LYS333, GLN241, GLN330, PHE329, dan LEU238). Ikatan yang terbentuk ada ikatan hidrogen dengan energi sebesar -198.95cal/mol. Asam kuinat diprediksi memiliki potensi sebagai terapi anti-inflamasi, hal ini ditunjukan karena ada ikatan yang terbentuk antara ligan dan 11 residu asam amino.

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Uji in silico Aktivitas Sitotoksik dan Toksisitas Senyawa Turunan N-(Benzoil)-N’- feniltiourea Sebagai Calon Obat Antikanker

Cited by 19 publications

References 7 publications

The Effect of Thespesia populnea Against Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase Receptor by Study In Silico

The Effect of Thespesia populnea Against Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase Receptor by Study In Silico

Studi In Silico: Prediksi Potensi 6-shogaol dalam Zingiber officinale sebagai Inhibitor JNK

Prediksi Asam Kuinat Sebagai Anti-Inflamasi Terhadap COX-2 Secara Virtual

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