CD Skripsi

Analisis Interaksi Senyawa Aktif Biji Pinang (Areca Catechu L.) Terhadap Reseptor Monoamine Oxidase A (Mao-A) Secara In Silico Sebagai Kandidat Obat Antidepresan

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SUMMARY
Depression is a mental illness characterized by emotional instability, difficulty concentrating, lack of interest in fun things, physical disturbances (difficulty sleeping and eating), feeling a bad future or quickly giving up, and thoughts of suicide. One of the causes of these depression symptoms is due to the catalytic activity of the MAO-A enzyme which can destroy monoamine compounds (serotonin, dopamine, and norepinephrine) causing monoamine levels in the brain to decrease. Therefore, this study was conducted to inhibit the activity of the MAO-A enzyme (PDB ID: 2Z5Y) by administering the active compound of Areca catechu L. Through in silico tests with molecular docking studies using AutoDock Vina, PyMol, Discovery Studio (DSV), and prediction of pharmacokinetic properties. and drug-likeness predictions using the SwissADME online website. The method validation or redocking showed good accuracy with an RMSD value of 1.589 Å for the 2Z5Y enzyme. The docking simulation results on the test ligands with positive control found that guvacoline has a binding free energy value of -5.9 kcal / mol compared to arecoline (-5.8kcal / mol), homoarecoline (-5.4 kcal / mol), and positive control. (-5.7 kcal / mol). Guvacoline compounds have 1 hydrogen bond in common with natural ligands in the active site of the MAO-A enzyme. The prediction of pharmacokinetic properties of betel nut compounds obtained good results, but not so good on the BBB (Blood-Brain Barrier) parameter. On drug similarity, the active compound prediction of betel nut seeds obtained good results from the parameters of the Lipinski, Veber rule, bioavailability score, but the arecoline and guvacoline compounds could not meet Ghose's rule. The results of the bioavailability radar showed that the active compound of betel nut seeds and controls fulfilled the properties as an oral drug.

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Ketersediaan

Informasi Detail

Judul Seri

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No. Panggil

03 02. 121 (0017)

Penerbit

Pekanbaru : Universitas Riau – FMIPA – Kimia., 2021

Deskripsi Fisik

ix,112 hlm.: ill.: 29 cm

Bahasa

Indonesia

ISBN/ISSN

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Klasifikasi

03 02. 121 (0017)

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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