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Hartanto Bisma
Laboratory of Forensic Polda Sulut, Manado, Indonesia
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemistry Computer Science & IT Mathematics Physics

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A Aktivitas Antikanker Sel Murine Leukimia P-388 dan Analisis ADMET Senyawa Bioaktif Ekstrak Metanol Kayu Lawang secara In Silico Jonathan Cavin Ezra Sinaga; Hartanto Bisma; Dewa Gede Katja; Lidya Irma Momuat; Max Revolta John Runtuwene
Jurnal Ilmiah Sains Volume 25 Issue 1, April 2025
Publisher : Sam Ratulangi University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35799/jis.v25i1.59759

Abstract

Lawang wood (Cinnamomum culilaban L. Presl.) is often used by the public as a traditional medicine. It has been studied to have inhibitory activity on one type of murine leukemia cell protein P-388, namely cyclin-dependent kinase 2, this protein is important in the process of blood cell malignancy. This research aims to determine the potential of the bioactive compounds contained in lawang wood in inhibiting the action of the cyclin-ependent kinase 2 protein (PDB ID: 5D1J) by molecular docking as well as evaluating the physicochemical and pharmacokinetic properties of lawang wood bioactive compounds. lawang wood bioactive compounds were extracted using methanol solvent and identified using Gas Chromatography-Mass Spectrometer (GC-MS). Molecular docking was carried out using PyRx software by docking at the active site of the cyclin-ependent kinase 2 protein receptor followed by Lipinski's rule of five testing, and ADMET screening using SwissADME and admetSAR. The GC-MS results of lawang wood methanol extract contained 9 bioactive compound components. The molecular docking results were compared with the molecular docking results of the native ligand which was used as a control in this study. Based on the results obtained, the compound 4-Phenylpyrazolidine-3,5-dione has the lowest binding affinity value (-7,7 kcal/mol). The five best compounds, namely 4-Phenylpyrazolidine-3,5-dione, 2H-1-Benzopyran-2-one, 5,7-dimethoxy-, 2H-1-Benzopyran-2-one, 4,7-dimethoxy-, Camphore, and Safrole fulfilled Lipinski's rules and showed good results in ADMET analysis. Keywords: Cinnamomum culilaban L Presl.; mololecular docking; cyclin-dependent kinase 2; ADMET predictions
Chemical Characterization and Antioxidant Activity of Ethanol and n-Hexane Extract of Pangi Leaves (Pangium edule Reinw. ex Blume) Jonathan Cavin Ezra Sinaga; Hartanto Bisma; Josua Tampara; Max Revolta John Runtuwene; Vanda Selvana Kamu; Dewa Gede Katja; Lidya Irma Momuat
Jurnal Ilmiah Sains Volume 26 Issue 1, April 2026
Publisher : Sam Ratulangi University, Manado, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35799/jis.v26i1.63487

Abstract

Pangi leaves (Pangium edule Reinw. ex Blume) are a type of plant that is often consumed by the people of North Sulawesi. This study aims to determine the total phenolic content, chemical characterization using GC-MS and FTIR, and antioxidant activity of pangi leaves using solvents that have different polarities. Total phenolics were measured using the Folin-Ciocalteu method. Antioxidant activity was evaluated using the DPPH method. The total phenolic content showed that the ethanol extract had a content of 17.94 μg/mL and the n-hexane extract was 12.94 μg/mL. The ethanol extract (IC50 = 656.39 μg/mL) had better antioxidant activity than the n-hexane extract (IC50 = 1991.76 μg/mL). Based on the GCMS results, 19 compounds were obtained from the ethanol extract and 16 compounds from the n-hexane extract. The FTIR results of the ethanol extract and n-hexane extract have functional groups -OH, aliphatic C-H, C=C (alkene or aromatic), C=O, and C-O. Keywords: Antioxidants; GCMS analysis; FTIR analysis; pangi leaves; DPPH
Co-Authors Dewa Gede Katja Dewa Gede Katja Jonathan Cavin Ezra Sinaga Jonathan Cavin Ezra Sinaga Josua Tampara Lidya Irma Momuat Lidya Irma Momuat Max Revolta John Runtuwene Max Revolta John Runtuwene Vanda Selvana Kamu