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All Journal Jurnal Riset Kimia Biology, Medicine, & Natural Product Chemistry
Afrizal Afrizal
Laboratorium Kimia Organik Bahan Alam, Jurusan Kimia, Fakultas Matematika Dan Ilmu Pengetahuan Alam, Universitas Andalas, Padang, Sumatra Barat
Biochemistry, Genetics & Molecular Biology Chemistry Medicine & Pharmacology Public Health

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Penentuan Profil Metabolit Sekunder, Aktivitas Antioksidan dan Antibakteri dari Ekstrak Biji Kurma (Phoenix dactylifera L.) Bebas Lipid Afrizal Afrizal; Aditya Perdana; Suryati Suryati
Jurnal Riset Kimia Vol. 13 No. 1 (2022): March
Publisher : Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jrk.v13i1.423

Abstract

Dates are one of the plants that grow in the Middle East, one of them is the Golden Valley variety. Dates are usually consumed directly and can also be processed into date juice drinks. Dates refined process would produce waste in the form of date seeds are discarded and not processed into other products. This study used lipid-free Golden valley date seed extract to determine the secondary metabolite profile by using LC-MS/MS method, determining phenolic content using the Folin-Ciocalteau method, determining total flavonoids using the aluminium chloride method, determining antioxidant activity by DPPH method, and determination of antibacterial activity by the disc diffusion method. The results showed that the compounds identified from the lipid-free date seed extract were catechin-(4α→8)-catechin, bis((1S,2R,5S)-5-isopropyl-2,3-dimethylcyclo-hexyl)-2,6-dimethylpyridine-3,5-dicarboxylate, 3,5,6-trihydroxy-4',7-dimethoxyflavone, ethyl-2-amino-3-oxobutanoate, and bis(2-isopropyl-5-methylcyclohexyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridine dicarboxylate. Lipid-free date seed extract contains total phenolic and flavonoid totals of 4364.704 mgGAE/100 grams of dried extract and 17200 mgQE/100 grams of dried extract. Its antioxidant activity is very strong in counteracting DPPH free radicals indicated by IC50 value of 10.1951 mg/L. Antibacterial activity shows strong inhibition of Staphylococcus aureus bacteria compared to inhibition of Escherichia coli bacteria that are categorized as weak.
Isolation of Secondary Metabolites from the Antioxidant Active Fraction of Syzygium aqueum Leaves and Its Docking Simulation on EGFR Farid Algani; Afrizal Itam; Mai Efdi; Kuntum Suci Mawarni
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.739-748

Abstract

This study aims to isolate secondary metabolites from Syzygium aqueum leaves and assess their suitability for targeting Epidermal Growth Factor Receptor (EGFR) proteins in lung cancer treatment. The methods utilized include maceration, fractionation, chromatography, and molecular docking. The isolated compounds were characterized using UV-VIS spectroscopy, FTIR, and NMR techniques. The compounds were 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone (DMC) and lupeol. Molecular docking simulations were performed between DMC compounds and EGFR proteins (PDB ID: 1M17, 5D41, 5UG8, 5UG9, and 6LUD). Mutations in the EGFR kinase domain, particularly T790M, L858R, and V948R, confer resistance to first-generation inhibitors, including osimertinib. According to the in-silico docking results, DMC shows promise as an alternative inhibitor candidate. It can maintain interactions with the key residue Lys745 and provides stabilization through Asp855 ansamod Glu762. In contrast, osimertinib relies more on hydrophobic interactions and loses direct contact with Lys745, contributing to decreased affinity. This suggests that DMC may effectively overcome resistance associated with mutations, especially T790M, while maintaining crucial interactions within the ATP binding pocket. Therefore, DMC can be developed into a new non-covalent scaffold for treating lung cancer with EGFR mutations.
Co-Authors Aditya Perdana Farid Algani Kuntum Suci Mawarni Mai Efdi Suryati