dc.contributor.advisor | Sulistiyani, Sulistiyani | |
dc.contributor.advisor | Pratama, Rahadian | |
dc.contributor.author | Pangestu, Alifian Gigih | |
dc.date.accessioned | 2021-08-12T01:03:58Z | |
dc.date.available | 2021-08-12T01:03:58Z | |
dc.date.issued | 2021 | |
dc.identifier.uri | http://repository.ipb.ac.id/handle/123456789/108343 | |
dc.description.abstract | Asetilkolinesterase (AChE) dan Butirilkolinesterase (BChE) merupakan
dua jenis enzim kolinesterase yang berperan dalam penurunan kadar asetilkolin
sebagai gejala khas penyakit alzheimer. Jintan hitam memiliki beragam senyawa
aktif yang berpotensi menghambat aktivitas kedua enzim. Penelitian ini bertujuan
menganalisis interaksi beberapa senyawa aktif penting dari jintan hitam dalam
menghambat aktivitas kedua enzim. Senyawa uji terbaik dipilih berdasar analisis
sifat kemiripan obat yang memenuhi kriteria dalam bioavailabilitas, toksisitas dan
aspek farmakokinetik sebagai obat. Analisis penambatan molekul dilakukan
dengan perangkat lunak komputer PyRx Virtual Screening dan YASARA Structure.
Hasil penelitian menunjukkan 7 dari 25 senyawa uji diduga memiliki aktivitas
penghambatan pada enzim AChE dan BChE. Senyawa nigelicin berpotensi sebagai
inhibitor terbaik AChE (ΔG -7,74 kcal/mol; %BSS 69,23%). Senyawa nigelidin
berpotensi sebagai inhibitor terbaik BChE (ΔG -6,73 kcal/mol; %BSS 33,33%).
Ikatan inhibitor dan enzim pada keduanya didominasi interaksi hidrofobik dengan
cincin aromatik berjajar. Kedua senyawa tergolong kelompok alkaloid jintan hitam
yang berpotensi dikembangkan sebagai herbal terapi alzheimer. | id |
dc.description.abstract | Acetylcholinesterase (AChE) and Butyrylcholinesterase (BChE) are two
types of cholinesterase enzyme that plays important role in reducing acetylcholine
as a symptom of alzheimer. Black cumin has a variety of active compounds and the
potential to inhibit the activity of both enzymes. This study aims to analyze
interaction of some crucial active compounds of black cumin in inhibiting AChE
and BChE enzymes. Active compounds selected through drugs-likeness analysis
that in compliance with bioavailability, toxicity and pharmacocinetics aspect.
Docking simulation doing by the Pyrx Virtual Screening software and the YASARA
Structure software. As a result, 7 of the 25 analyze compounds have the potential
to inhibit activity of both enzymes. Nigelicin is the best compound that inhibits
AChE (ΔG -7,74 kcal/mol; %BSS 69,23%). Nigelidin is the best compound that
inhibits BChE (ΔG -6.73 kcal/mol; %BSS 33,33%). Both inhibitor and enzyme
complex dominated by hydrophobic with lined aromatic structure. Both compounds
are classified as alkaloid of black cumin that potential as alzheimer’s therapy. | id |
dc.language.iso | id | id |
dc.publisher | IPB University | id |
dc.title | Penambatan Molekuler Senyawa Aktif Jintan Hitam sebagai Inhibitor Enzim Kolinesterase dalam Pengembangan Terapi Alzheimer | id |
dc.title.alternative | Molecular Docking of Black Cumin Active Compound to Inhibits Cholinesterase Enzyme in the Development of Alzheimer’s Therapy | id |
dc.type | Undergraduate Thesis | id |
dc.subject.keyword | alzheimer’s disease | id |
dc.subject.keyword | acetylcholinesterase | id |
dc.subject.keyword | butyrylcholinesterase | id |
dc.subject.keyword | black cumin | id |
dc.subject.keyword | molecular docking | id |