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All Journal Jurnal Jejaring Matematika dan Sains Nanggroe: Journal Of Scholarly Service Nanggroe: Journal of Scholarly Service
Efriyana oksal
Program Studi Kimia Universitas Palangka Raya, Palangka Raya, Indonesia
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Electrical & Electronics Engineering Engineering Environmental Science Health Professions Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Library & Information Science Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Nursing Physics Public Health Social Sciences

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A Desaign of Caffeate Acid Derivatives for Anticancer based on DFT Molecular Docking: Studi Senyawa Turunan Asam Kafeat sebagai Antikanker: Pendekatan DFT dan Molecular Docking Efriyana Oksal; Mokhamat Ariefin; Marvin Horale Pasaribu
Jurnal Jejaring Matematika dan Sains Vol. 5 No. 1 (2023): Jurnal Jejaring Matematika dan Sains
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Palangka Raya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36873/jjms.2023.v5.i1.804

Abstract

This research informs a descriptive study of caffeic acid derivatives such as ethyl caffeate, fluoro methyl caffeate, chloro methyl caffeate, bromo methyl caffeate, iodo methyl caffeate compounds, using density functional theory in B3LYP method with def2-TZVP basis set. The substitution of various halide atoms in the derivative compounds showed a high increase in chemical reactivity than the methyl group for the main compound by increasing the electron donor ability of the compound in chemical reactions. The molecular structures of some derivative compounds were optimized with geometrical analysis values depicting stable molecular structures with lower HOMO-LUMO energy difference. Quantum chemical parameters such as hardness (η), softness (σ), electronegativity (χ), and electrophilicity (ω) were generated as descriptors for the chemical behavior of the molecules. The FT-IR vibrational frequencies that have been calculated and characterized are in good agreement with the molecular structure. The molecular docking results show that the five ligands are able to interact with amino acid residues similar to the amino acids of the native ligand. The binding energy values for the five native ligands are -6.5, -6.8, -6.6, -6.5, and -6.4 kcal mol-1. Furthermore, binding and interaction values similar to the native ligand, it is expected that the five ligands have potential as anticancer.
Penyuluhan Penentuan Kualitas Air Tanah di Wilayah Perumahan Grand Sanur Griya Tama II Palangka Raya Rokiy Alfanaar; Fatchiyatun Ni’mah; Marvin Horale Pasaribu; Tety Wahyuningsing Manurung; Mokhamat Ariefin; Efriyana Oksal
Nanggroe: Jurnal Pengabdian Cendikia Vol 2, No 4 (2023): July
Publisher : Yayasan Daarul Huda Kruengmane

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5281/zenodo.8165319

Abstract

Water, the primary need of living things, is indispensable for humans. The use of water is a common thing in the community. One of the community environments that needs water is housing. Grand Sanur Griya Tama II Housing Estate, a housing estate in Palangka Raya City, is one of the places that utilize groundwater to meet clean water needs. In this service, counselling is carried out by determining groundwater quality based on physical and chemical parameters. The community service results show that the groundwater quality in the housing is in accordance with quality standards.
Penyuluhan Penentuan Kualitas Air Tanah di Wilayah Perumahan Grand Sanur Griya Tama II Palangka Raya Rokiy Alfanaar; Fatchiyatun Ni’mah; Marvin Horale Pasaribu; Tety Wahyuningsing Manurung; Mokhamat Ariefin; Efriyana Oksal
Nanggroe: Jurnal Pengabdian Cendikia Vol 2, No 4 (2023): July
Publisher : Yayasan Daarul Huda Kruengmane

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5281/zenodo.8165319

Abstract

Water, the primary need of living things, is indispensable for humans. The use of water is a common thing in the community. One of the community environments that needs water is housing. Grand Sanur Griya Tama II Housing Estate, a housing estate in Palangka Raya City, is one of the places that utilize groundwater to meet clean water needs. In this service, counselling is carried out by determining groundwater quality based on physical and chemical parameters. The community service results show that the groundwater quality in the housing is in accordance with quality standards.
Co-Authors Alfanaar, Rokiy Fatchiyatun Ni’mah Marvin Horale Pasaribu Mokhamat Ariefin Tety Wahyuningsih Manurung