BEATRIX JELITA PANDIANGAN, - (2025) STUDI IN SILICO: EFEKTIVITAS SENYAWA BAHAN ALAM PADA RESEPTOR ASETILKOLIN NIKOTINAT α7 (α7-nAChR) SEBAGAI TERAPI AUTISM SPECTRUM DISORDER (ASD). Skripsi thesis, Sekolah Tinggi Farmasi Indonesia.
![[img]](http://repository.stfi.ac.id/style/images/fileicons/text.png) |
Text
S_PSSF_A211006_Title.pdf Download (574kB) |
|
Text
S_PSSF_A211006_Chapter1.pdf Restricted to Repository staff only Download (212kB) |
|
Text
S_PSSF_A211006_Chapter2.pdf Restricted to Repository staff only Download (408kB) |
|
Text
S_PSSF_A211006_Chapter3.pdf Restricted to Repository staff only Download (219kB) |
|
Text
S_PSSF_A211006_Chapter4.pdf Restricted to Repository staff only Download (545kB) |
|
Text
S_PSSF_A211006_Chapter5.pdf Restricted to Repository staff only Download (167kB) |
|
Text
S_PSSF_A211006_Appendix.pdf Restricted to Repository staff only Download (1MB) |
Abstract
Autism Spectrum Disorder (ASD) adalah gangguan neurodevelopmental kompleks dengan prevalensi tinggi di Indonesia, diperkirakan mencapai jutaan kasus. Terapi farmakologi yang saat ini umumnya menargetkan gejala perilaku belum mengatasi gejala inti ASD, dan sering menimbulkan efek samping. Reseptor asetilkolin nikotinat α7 (α7-nAChR), menjadi salah satu target terapi potensial karena berperan penting dalam keseimbangan neurotransmiter, plastisitas sinaptik, dan fungsi kognitif yang terganggu pada ASD. Penelitian ini bertujuan mengevaluasi potensi beberapa senyawa bahan alam sebagai ligan α7-nAChR menggunakan metode in silico melalui molecular docking. Senyawa kurkumin, oleocanthal, huperzine A, bacoside A, dan kuersetin diuji terhadap reseptor α7-nAChR (PDB: 7EKT), dengan validasi redocking (RMSD ≤ 2 Å). Hasil menunjukkan bacoside A memiliki binding affinity terendah (–76,06 kcal/mol), lebih kuat dibanding ligan referensi (– 72,40 kcal/mol), serta membentuk lebih banyak ikatan hidrogen dan interaksi hidrofobik, menandakan potensi tinggi sebagai kandidat modulator positif α7- nAChR. Namun, keterbatasan metode in silico yang tidak sepenuhnya merepresentasikan kondisi biologis nyata menuntut validasi lanjutan melalui uji in vitro dan in vivo untuk memastikan keamanan, efektivitas, dan relevansi biologis sebelum dikembangkan sebagai terapi ASD. ------- Autism Spectrum Disorder (ASD) is a complex neurodevelopmental disorder with a high prevalence in Indonesia, estimated to reach millions of cases. Pharmacological therapies that currently generally target behavioral symptoms have not addressed the core symptoms of ASD, and often cause side effects. The nicotinate acetylcholine α7 receptor (α7-nAChR), is one of the potential therapeutic targets because it plays an important role in neurotransmitter balance, synaptic plasticity, and impaired cognitive function in ASD. This study aims to evaluate the potential of several natural material compounds as α7-nAChR ligands using the in silico method through molecular docking. The compounds curcumin, oleocanthal, huperzine A, bacoside A, and quercetin were tested against α7-nAChR receptors (PDB: 7EKT), with redocking validation (RMSD ≤ 2 Å). The results showed that bacoside A had the lowest affinity binding (–76.06 kcal/mol), was stronger than the reference ligand (–72.40 kcal/mol), and formed more hydrogen bonds and hydrophobic interactions, indicating high potential as a positive α7-nAChR modulator candidate. However, the limitations of in silico methods that do not fully represent real biological conditions demand further validation through in vitro and in vivo assays to ensure safety, effectiveness, and biological relevance before being developed as a therapy for ASD.
| Item Type: | Thesis (Skripsi) |
|---|---|
| Uncontrolled Keywords: | Autism Spectrum Disorder, α7-nAChR, bacoside A, molecular docking, neurotransmitter, modulator. ------ Autism Spectrum Disorder, α7-nAChR, bacoside A, molecular docking, neurotransmitters, modulators. |
| Subjects: | R Medicine > R Medicine (General) R Medicine > RM Therapeutics. Pharmacology |
| Divisions: | Program Studi S1 Farmasi |
| Depositing User: | pustakawan - - |
| Date Deposited: | 30 Aug 2025 01:39 |
| Last Modified: | 30 Aug 2025 01:39 |
| URI: | http://repository.stfi.ac.id/id/eprint/2723 |
Actions (login required)
 |
View Item |
