CICI NOVIANTI, - (2025) STUDI PENAMBATAN MOLEKUL FRAGMEN ANTIBODI scFv6H4 SEBAGAI KOMPONEN DIAGNOSTIK NARKOTIKA METAMFETAMIN (METH) BERBASIS AFINITAS. Skripsi thesis, Sekolah Tinggi Farmasi Indonesia.
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Abstract
Metamfetamin (METH) merupakan salah satu narkotika yang paling banyak disalahgunakan secara global dengan lebih dari 36 juta pengguna (UNODC, 2021), dan menempati urutan kedua penyalahgunaan di Indonesia setelah ganja. Deteksi dini sangat penting, namun kit diagnostik yang tersedia masih bergantung pada antibodi impor yang mahal dan kurang fleksibel untuk rekayasa. Fragmen antibodi scFv6H4 menawarkan alternatif yang efisien, stabil, dan dapat dimodifikasi secara in silico. Penelitian ini bertujuan mengevaluasi afinitas dan spesifisitas fragmen antibodi scFv6H4 terhadap METH dibandingkan amfetamin, benzodiazepin, Δ⁹- tetrahydrocannabinol (THC), kokain, dan morfin melalui penambatan molekul. Struktur fragmen antibodi scFv6H4 diperoleh dari PDB (kode 3GKZ) dan ligan dari PubChem. Penambatan menggunakan AutoDockTools 1.5.7 divalidasi dengan RMSD <2 Å. Hasil menunjukkan fragmen antibodi scFv6H4 berikatan dengan METH pada energi pengikatan bebas (ΔG) −7,32 kkal/mol, sedangkan THC (−8,76 kkal/mol) dan kokain (−8,32 kkal/mol) memiliki afinitas lebih tinggi. Temuan ini mengindikasikan potensi reaktivitas silang, sehingga diperlukan rekayasa residu pada daerah CDR untuk meningkatkan selektivitas. Penelitian ini mendukung pengembangan kit diagnostik lokal yang lebih terjangkau dan spesifik. ----- Methamphetamine (METH) is one of the most abused narcotics globally with more than 36 million users (UNODC, 2021), and ranks second in abuse in Indonesia after marijuana. Early detection is essential, but the diagnostic kits available still rely on imported antibodies that are expensive and less flexible for engineering. The scFv6H4 antibody fragment offers an efficient, stable, and in silico modifiable alternative. This study aimed to evaluate the affinity and specificity of scFv6H4 antibody fragments against METH compared to amphetamines, benzodiazepines, Δ⁹-tetrahydrocannabinol (THC), cocaine, and morphine through molecular docking. The structure of the scFv6H4 antibody fragment was obtained from PDB (code 3GKZ) and ligands from PubChem. Docking using AutoDockTools 1.5.7 is validated with an RMSD of <2 Å. The results showed that the scFv6H4 antibody fragment bound to METH at the free binding energy (ΔG) of −7.32 kcal/mol, while THC (−8.76 kcal/mol) and cocaine (−8.32 kcal/mol) had a higher affinity. These findings indicate the potential for cross-reactivity, so residual engineering in the CDR region is needed to increase selectivity. This research supports the development of more affordable and specific local diagnostic kits.
| Item Type: | Thesis (Skripsi) |
|---|---|
| Uncontrolled Keywords: | afinitas, metamfetamin, penambatan molekul, scFv6H4, spesifisitas. ----- affinity, methamphetamine, molecular docking, scFv6H4, specificity |
| Subjects: | Q Science > Q Science (General) Q Science > QH Natural history > QH301 Biology |
| Divisions: | Program Studi S1 Farmasi |
| Depositing User: | pustakawan - - |
| Date Deposited: | 30 Aug 2025 02:04 |
| Last Modified: | 30 Aug 2025 02:04 |
| URI: | http://repository.stfi.ac.id/id/eprint/2725 |
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