In Silico Study of Bioactive Compounds of Putat Leaf Extract (Planchonia valida) as Anti-Cancer Against the VEGFR2 Receptor

Authors

  • Anisa Bela Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University
  • Tribuana Tungga Dewi Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University
  • Satria Prabawa Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University. Jambi
  • Alfi Khatib Department of Pharmaceutical Chemistry, Faculty of Pharmacy, International Islamic University Malaysia, Kuantan, Malaysia
  • Yusnaidar Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University
  • Madyawati Latief Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University
  • Indra Lasmana Tarigan Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University

DOI:

https://doi.org/10.22437/jisic.v16i1.32049

Abstract

Cancer is the process of forming new tissue that is abnormal and malignant. Efforts to discover anti-cancer drug compounds continue to be made to minimize the toxic effects of chemotherapy, so it is necessary to look for other alternatives to treat cancer. This research aims to determine the anti-cancer activity of putat plant bioactive compounds through identification of receptor targets and interaction studies using the molecular docking method against the VEGFR2 (Vascular endothelial growth factor receptor-2) receptor.

The results showed that in the test of eight putat plant bioactive compounds the best results were obtained for the compound 3-oxo-N-(1,3-thiazol-2-yl) butanamide with a binding free energy value of -9.86 kcal-mol-1 with an inhibition constant value of 1.47 Micromolar. The best docking result has an inhibition constant value that is higher than the native ligand and has a binding free energy that is almost close to the binding free energy of the native ligand with an inhibition constant value of 42.38 Micromolar and a binding free energy value of 10.06 kcal-mol-1. Therefore, the results of the docking of the bioactive compound 3-oxo-N-(1,3-thiazol-2-yl) butanamide with the VEGFR-2 receptor are considered capable of being an alternative as a candidate for anti-cancer drugs.

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Author Biographies

Anisa Bela, Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University

Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University. Jambi – Ma. Bulian Road, Mendalo Indah, Muaro Jambi, Jambi, Indonesia.

Tribuana Tungga Dewi, Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University

Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University. Jambi – Ma. Bulian Road, Mendalo Indah, Muaro Jambi, Jambi, Indonesia.

Satria Prabawa, Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University. Jambi

Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University. Jambi – Ma. Bulian Road, Mendalo Indah, Muaro Jambi, Jambi, Indonesia.

Alfi Khatib, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, International Islamic University Malaysia, Kuantan, Malaysia

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, International Islamic University Malaysia, Kuantan, Malaysia

Yusnaidar, Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University

Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University. Jambi – Ma. Bulian Road, Mendalo Indah, Muaro Jambi, Jambi, Indonesia.

Madyawati Latief, Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University

Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University. Jambi – Ma. Bulian Road, Mendalo Indah, Muaro Jambi, Jambi, Indonesia.

Natural Product and Bioactive Compoud Laboratory, Faculty of Science and Technology, Jambi University

Indra Lasmana Tarigan, Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University

Chemistry Study Program, Department of Mathematics and Natural Sciences, Faculty of Science and Technology, Jambi University. Jambi – Ma. Bulian Road, Mendalo Indah, Muaro Jambi, Jambi, Indonesia.

Natural Product and Bioactive Compoud Laboratory, Faculty of Science and Technology, Jambi University

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Published

2024-06-30

How to Cite

Bela, A., Dewi, T. T. ., Prabawa, S. ., Khatib, A., Yusnaidar, Latief, M., & Tarigan, I. L. (2024). In Silico Study of Bioactive Compounds of Putat Leaf Extract (Planchonia valida) as Anti-Cancer Against the VEGFR2 Receptor. Journal of The Indonesian Society of Integrated Chemistry, 16(1), 1-14. https://doi.org/10.22437/jisic.v16i1.32049