Stannum : Jurnal Sains dan Terapan Kimia
Vol 6 No 1 (2024): April 2024

Phytochemical Analysis and Study of Molecular Docking of Leucaena leucocephala Leave Extract as Anticancer

Mokhamat Ariefin (Department of Chemistry, Faculty of Mathematic and Science, University of Palangka Raya)
Syarpin syarpin (Department of Chemistry Education, Faculty of Education and Teacher Trainimg, University of Palangka Raya)
Bibit Harianto (Department of Chemistry Education, Faculty of Education and Teacher Trainimg, University of Palangka Raya)



Article Info

Publish Date
01 May 2024

Abstract

Cancer is a disease caused by unnatural cell growth in the body. It has become a disease with a high mortality rate in the world. Several therapies have been developed for cancer treatment, one of which is the exploration of the bioactivity of compounds contained in potentially medicinal plants. One of the potential medicinal plants that grows in Central Kalimantan province is L. leucocephala. In this study, the potential of L. leucocephala leaf extract was explored through phytochemical tests and molecular docking approaches. Based on the phytochemical test, it was found that L. leucocephala leaf extract contains flavonoids, terpenoids, and steroids. Based on the test results, a literature study was conducted on the flavonoids and terpenoids content in L. leucocepala leaf extract and molecular docking studies were conducted. Seven dominant compounds of L. leucocephala consisting of flavonoids and terpenoids were tested for their potential as inhibitors of receptor tyrosine kinase. The molecular docking results showed that flavonoid ligands (1-6) had more negative binding affinity values compared to the drug sunitinib, a common drug for cancer therapy, while terpenoid ligand (7) had less favorable binding energy. Based on the Lipinski rule of five test, ligands 1, 2, 4, and 5 fulfill all the criteria given as drug candidates, while ligands 3, 6, and 7 only fulfill 3 out of 5 criteria. Based on Lipinski rule of five and molecular docking, ligand 1,2,4, and 5 has potential to be anticancer.

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Journal Info

Abbrev

stannum

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering

Description

Jurnal Sains dan Terapan Kimia published research article, minireview/review, and short communication that included studies in Inorganic Chemistry, Organic Chemistry, Analitycal Chemistry, Biochemistry, Physical Chemistry, Computational Chemistry, Chemical Engineering, and Applied Chemistry. ...