UNAIR NEWS - A proud achievement came from young researcher Muhammad Ikhlas Abdjan, a doctoral student of Faculty of Science and Technology (FST) Universitas Airlangga (UNAIR). Ikhlas - his nickname - managed to carve his name in the international arena by winning the best paper award from the renowned journal “Engineered Science” at the International Conference on Innovative Discoveries and Advancements in Applied Sciences iDEAAS 2024 at Mahsa University, Kuala Lumpur Malaysia. The direct appreciation was given for his research in the discovery of medicinal compounds to prevent the growth of cancer cells.

His research was successfully selected as one of the best paper awards from hundreds of researchers around the world. Ikhlas is the only student who participated in the event. Because, the average participant is a senior researcher and professor who is conducting research.

Not only that, the research under the guidance of Prof. Dr. Nanik Siti Aminah M Si and Prof. Dr. Alfinda Novi Kristanti DEA also won previous awards. Namely, entering popular chemistry in 2022, and hot article collection in 2021 at the renowned publisher Royal society of Chemistry.

Compound Discovery
His research entitled Pharmacokinetic, DFT Modeling, Molecular Docking, and Molecular Dynamics Simulation Approaches: Diptoindonesin A as a Potential Inhibitor of Sirtuin-1 managed to attract the eyes of the world. This is because it is a new finding in the form of Diptoindonesin A compound that can inhibit the growth of cancer cells.

“This compound was discovered by my advisor Prof. Nanik Siti Aminah. However, it has never been tested on the sirtuin-1 enzyme. Therefore, I continue this research to find new innovations to inhibit cancer cell growth by testing Diptoindonesin A with the sirtuin-1 enzyme,” he said.

Uniquely, the Diptoindonesin A compound can be found in the Shorea seminis plant that grows in Kalimantan island. Sirtuin-1 is one of the sirtuin enzyme classes that cause cancer. Ikhlas admitted that the research focused on sirtuin-1 because most almost all types of cancer have the activity of the enzyme.

“This study focuses on sirtuin-1. This is because this enzyme is major and its activity can be seen in most types of cancer such as cervical, breast cancer, prostate and so on. Sirtuin-1 will help regulate cancer cells so that they will continue to grow and be uncontrolled,” he said.

Ikhlas also added, that previously he conducted a calculation simulation trial in the laboratory. Of several enzyme compounds tested using computational calculation methods at the molecular level, Diptoindonesin A has a good inhibitory effect on sirtuin-1.

Mechanism and Research Methods
Ikhlas said that the research used computational studies. These studies include Pharmacokinetic methods, DFT modeling, molecular docking, and molecular dynamics simulation.

Pharmacokinetic studies to predict the drug candidate criteria of the two compounds, namely diptoindonesin A and viniferin. It was also used to predict ADMET (absorption, distribution, metabolism, excretion, toxicity). Based on ADMET, Diptoindonesin A can be absorbed into the small intestine. And, based on BBB permeability distribution, it does not directly affect brain cells. The compound also does not affect the body's metabolic system

DFT Modeling is used to describe the properties of compounds at the molecular to atomistic level. The goal is whether the molecule is stable, or reactive. From all calculations, the properties of Diptoindonesin A and viniferin are stable. In the depiction, the structure between Diptoindonesin A and viniferin is the same. However, the difference is the presence of glucose units in the Diptoindonesin A molecular structure.

“Although the structure is the same, it is the glucose content in Diptoindonesin A that affects the activity of the sirtuin-1 enzyme. Diptoindonesin A will interact with 21 amino acid residues in the sirtuin-1 enzyme that can inhibit cancer cell growth,” said Ikhlas.

Molecular docking is a method to study the interaction of drugs and enzymes at the molecular level. Docking is used to find initial coordinates and molecular dynamics simulation comprehensively evaluates the overall stabilization of bonds and drug molecular interactions. The test showed good stabilization of Diptoindonesin A interaction with sirtuin 1 during the simulation.

Based on these testing methods, Diptoindonesin A is worthy to be considered as a drug to counteract the growth of cancer cells. In addition, the disadvantage of this compound is that it is difficult to obtain because it is isolated from plants. To cover this weakness, it is hoped that further studies can be carried out in this regard.

International Collaboration
The discovery and research took almost a year. Ikhlas admits that he has encountered obstacles related to research and research facilities. To help his research, Ikhlas even conducted research in two countries at once. Namely, the International Center for Chemical and Biological Sciences Pakistan and Chulalongkorn University Thailand.

According to him, collaboration is very helpful in conducting his research. For sustainable research, Ikhlas collaborates with the University of Malaya, Malaysia. This is to develop his research related to drug encapsulation in isolated compounds through computational and experimental approaches as anticancer agents.

“I hope this research can be sustainable, good research is research that never stops. It is always sustainable. Focus and sharpen on one field and continue to develop it,” he concluded.

Author: Marshafyennda Scarbella

Editor: Feri Fenoria

Source : unair.ac.id/raih-penghargaan-peneliti-unair-temukan-senyawa-penghambat-sel-kanker