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Submitted
September 11, 2021
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August 4, 2022
Published
December 30, 2022
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Abstract

Background: The community has known pasak bumi for generations to increase sexual desire in men (aphrodisiac). Besides, it can improve the performance of sports athletes and as an antistress, reduce tension, anger, and confusion.
Objective: This relatively large number of uses encourages researchers to want to do in silico screening of active compounds against antitumors by going through 2 stages, namely through online PASS and docking.
Method: Docking method to see the stability interaction of compounds with cyclin. In this test, Pyrx was used as a docking tool with various cell cycle-related targets, namely cyclin D3 (PDB ID: 3G33), cyclin A (PDB ID: IJSU), cyclin A (PDB ID, cyclin C (1ZP2), cyclin D (ID PDB: 2W9F), cyclin H (PDB ID: 1KXU), and cyclin T (PDB ID: 3BLR).
Results: The docking result showed that each cyclin showed the best interaction with these compounds: Cyclin A and 9-Methoxycanthin-6-one 3-N-oxide (-8.6 Kcal/mol), cyclin H and Niloticin (-8.0 Kcal/mol), cyclin D3 is 9-Methoxycanthin-6-one 3-N-oxide (-7.2 Kcal/mol), cyclin D is Eurycolactone F (-8.4 Kcal/mol), cyclin C is and Niloticin (-7.5 Kcal/mol), and cyclin T and Niloticin (-8.2 Kcal/mol).
Conclusion: Based on the docking score obtained, the stability of the interaction is predicted to occur in cyclin A and 9-Methoxycanthin-6-one 3-N-oxide (ΔG: -8.6 Kcal/mol).


Intisari


Latar belakang: Pasak bumi telah dikenal oleh masyarakat secara turun-temurun untuk meningkatkan gairah seksual pada pria (afrodisiaka). Disamping itu dapat meningkatkan performa atlet olahraga dan sebagai antistress, menurunkan tegangan, kemarahan, dan kebingungan.
Tujuan: Penggunaan yang relatif banyak ini mendorong peneliti berkeinginan melakukan skrining senyawa aktif terhadap antitumor secara in silico dengan melalui 2 tahap yaitu melalaui PASS online dan docking.
Metode: Metode docking dipakai untuk melihat interaksi stabilitas senyawa dengan cylin. Dalam pengujian ini, Pyrx digunakan sebagai alat docking dengan berbagai target yang berhubungan dengan siklus sel, yaitu cyclin D3 (PDB ID: 3G33), cyclin A (PDB ID: IJSU), cyclin C (PDB ID: 1ZP2), cyclin D (ID PDB: 2W9F), cyclin H (ID PDB: 1KXU), dan cyclin T (ID PDB: 3BLR).
Hasil: Hasil docking pada masing-masing cyclin menunjukkan interaksi terbaik dengan senyawa berikut ini: cyclin A dan 9-Methoxycanthin-6-one 3-N-oxide (-8,6 Kkal/mol), cyclin H dan Niloticin (-8,0 Kkal/mol), cyclin D3 dan 9-Methoxycanthin-6-one 3-N-oxide (-7,2 Kkal/mol), cyclin D dan Eurycolactone F (-8,4 Kkal/mol), cyclin C dan Niloticin (-7,5 Kkal/mol), serta cyclin T dan Niloticin (-8,2 Kkal/mol).
Kesimpulan: Berdasarkan skor docking yang diperoleh, kestabilan interaksi diprediksi akan terjadi pada cyclin A dengan 9-Methoxycanthin-6-one 3-N-oxide (ΔG: -8.6 Kkal/mol).

Keywords

Docking Eurycoma longifolia cyclin

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Author Biography

Samsul Hadi, universitas lambung mangkurat

biochemistry

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