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All Journal PROSIDING SEMINAR KIMIA Jurnal Kimia Mulawarman E-Dimas: Jurnal Pengabdian kepada Masyarakat Chemistry Indonesian Journal of Chemical Research Molluca Journal of Chemistry Education (MJoCE)
Veliyana Londong Allo
Jurusan Kimia FMIPA Universitas Mulawarman
Biochemistry, Genetics & Molecular Biology Chemistry Education Engineering Environmental Science Social Sciences

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Journal : Jurnal Kimia Mulawarman

 1 
STUDI POTENSI SENYAWA DERIVATIF FLAVONOID DARI TANAMAN GENUS MACARANGA TERHADAP PROTEIN E6 HPV DENGAN METODE DOCKING MOLECULAR Veliyana Londong Allo; Djihan Ryn Pratiwi
JURNAL KIMIA MULAWARMAN Vol 16 No 2 (2019)
Publisher : Jurusan Kimia Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Mulawarman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30872/jkm.v16i2.1006

Abstract

Interaction study of active compounds of a medicinal plant with cervical cancer cells using the Docking Molecular (In Silico) method. In this research design the active compound sophoraflavanone B, 5,7,3 ', 4'-tetrahidroxy-3,6-diprenylflavone, apigenin and quercetin are first calculated using a quantum approach based on SCF method set 3-21G to obtain a stable compound form and has the lowest energy. Stable compounds interact with cervical cancer cells obtained from protein bank data (GDP) that have been prepared previously to obtain an inhibitory energy value, the number of hydrogen bonds and other factors that influence a Docking Molecular calculation. The interaction of compounds 5,7,3 ', 4'-tetrahydroxy-3,6-diprenylflavone against E6-HPV of 4 hydrogen bonds with a distance of 2.7-3.23 Å.
STUDI KOMPUTASI SEMIBUCKMINSTERFULLERENE SEBAGAI PENYIMPAN HIDROGEN MENGGUNAKAN METODE PERHITUNGAN DENSITY FUNCTIONAL THEORY. Digva Willyan; Rahmat Gunawan; Veliyana Londong Allo
JURNAL KIMIA MULAWARMAN Vol 17 No 2 (2020)
Publisher : Jurusan Kimia Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Mulawarman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30872/jkm.v17i2.716

Abstract

Hydrogen is an alternative energy source for fossil fuels. One of molecules that have an ability to store hydrogen is Semibuckminsterfullerene. This study was conducted to find out the optimum distance in adding hydrogen and the phenomenon of energy produced when adding hydrogen from 10 molecules to 100 molecules. Semibuckminsterfullerene was calculated using Density Functional Theory method, B3LYP with a basis set of 6-31G*. The optimum distance of Semibuckminsterfullerene with hydrogen was 3 ? Furthermore, the results of adding hydrogen from 10 to 100 molecules showed a decrease in energy due to the bowl-shaped structure of Semibuckminsterfullerene
Molecular Structure And Electronic Properties Of Eugenol And Its Analogues Using Dft Mirella Fonda Maahury; Muhammad Abdulkadir Martoprawiro; Veliyana Londong Allo
JURNAL KIMIA MULAWARMAN Vol 19 No 2 (2022)
Publisher : Jurusan Kimia Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Mulawarman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30872/jkm.v19i2.1123

Abstract

Eugenol is the active molecule naturally found in clove oil. The calculations have been done for the eugenol and its derivatives computationally. This computational calculation aims to obtain a stable structure and electronic properties of eugenol, methyl eugenol, and acetyl eugenol. The computational calculation used DFT for geometry optimization in the gas phase using B3LYP functional and 6-31G(d) as the basis set. The optimized structure of eugenol and its derivatives is not planar. The presence of methoxy replacing hydroxy increases the bond length and decreases the bond angle and the dihedral. The electronic properties such as atomic charge and density of HOMO-LUMO show the difference between the three molecules.
Co-Authors D J N Subagyono Digva Willyan Djihan Ryn Pratiwi Halimatus Sa'diyah Irfan Ashari Hiyahara Maahury, Mirella Fonda Muhammad Abdulkadir Martoprawiro Muhammad Irvan Mulya Pratama Nana Lestari Noor Afdaliah Noor Hindryawati R R Dirgarini Julia Nurlianti Subagyono Rahmat Gunawan Rahmat GUnawan RR Dirgarini Julia Nurlianti Subagyono Rudy Agung Nugroho Siti Sarah Wardina Masdalifa