CD Skripsi

Studi In Silico Senyawa Aktif Biji Pala (Myristica Fragrans) Sebagai Kandidat Obat Antidepresan

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Since the spread of the COVID-19 pandemic, people's movements have become
limited which can affect mental health, one of which is psychological conditions,
namely depression. Research on depression has been carried out using in vivo and in
vitro methods, but in silico research on the active compound of nutmeg seed (Myristica
fragrans) has never been done. The purpose of this study was to observe the activity of
the active compounds in nutmeg seeds (Miristicin, elemicin, safrole and isoeugenol) in
inhibiting the action of the MAO-A enzyme. The method used is SwissADME and
molecular docking using PyRx 0.8 and PyMOL. The results of prediction of
pharmacokinetic properties and drug-likeness using swissADME showed that the
active compound of nutmeg seed and positive control could penetrate the BBB (Blood-
Brain Barrier) and complied with Lipinski's rule, Veber's rule, Ghose's rule and had
good skin permeability characterized by a bioavailability score of 0. ,55. The molecular
docking results show that the ligand complex (isoeugenol) receptor (MAO-A) has the
same 6 amino acid residues as the native ligand and 2 of them are active sites while the
complex ligand (moclobemide, myristicin, elemicin and safrole) receptor (MAO-A)
only have 4 amino acid residues in common with the native ligand and 2 of them are
active sites. Based on the results of SwissADME analysis and molecular docking,
isoeugenol is the most potential compound to be a candidate for antidepressant drugs.
Isoeugenol has a bond-free energy value of -6.18 kcal/mol which is the smallest value
among the four active compounds of nutmeg seed and based on the interaction of the
bonds formed, it shows that isoeugenol can bind to the active site of MAO-A with the
similarity of amino acid residues with the native ligand. and positive control.

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Ketersediaan

Informasi Detail

Judul Seri

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No. Panggil

03 02. 122 (0004)

Penerbit

Pekanbaru : Universitas Riau – FMIPA – Kimia., 2022

Deskripsi Fisik

xi, 37 hlm.: ill.: 29 cm

Bahasa

Indonesia

ISBN/ISSN

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Klasifikasi

03 02. 122 (0004)

Tipe Isi

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Tipe Media

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Tipe Pembawa

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Edisi

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Subjek

KIMIA

Info Detail Spesifik

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Pernyataan Tanggungjawab

ELFITRA

Versi lain/terkait

Lampiran Berkas

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