Electronic Theses and Dissertation

Depresi merupakan penyakit gangguan mental yang disebabkan oleh penurunan aktivitas serotonergik di dalam tubuh. Salah satu tanaman yang diketahui memiliki aktivitas sebagai antidepresan adalah biji kopi arabika (Coffea arabica L.). Penelitian ini bertujuan untuk mengetahui kandungan senyawa di dalam minyak biji kopi arabika (MBKA) serta melihat interaksi senyawa tersebut terhadap penghambatan protein human Serotonin Transporter (hSERT). Sampel MBKA diperoleh dari market online (Essential Formula®). Sampel MBKA dikarakterisasi dan dianalisis senyawa bioaktifnya menggunakan Gas Chromatography-Mass Spectroscopy (GC-MS). Semua senyawa bioaktif hasil analisis GC-MS dilakukan analisis secara molecular docking terhadap protein hSERT menggunakan software Autodock Vina untuk memperoleh data berupa nilai binding affinity (BA) dan pola ikatan asam amino, dalam analisis ini fluoxetine digunakan sebagai kontrol positif. Hasil karakterisasi MBKA menunjukkan bahwa sampel memiliki aroma kopi yang kuat, berwarna kuning keemasan serta berbentuk cairan. Nilai bobot jenis dan indeks bias sampel MBKA berturut-turut sebesar 0.9020 dan 1.474. Hasil analisis GC-MS menunjukkan bahwa sampel MBKA mengandung 34 komponen senyawa dengan persentase terbanyak yaitu Cyclohexane, 1-methyl-4-(1-methylethenyl)-, cis- (27,67%). Hasil analisis molecular docking menunjukkan bahwa senyawa stigmasterol, campesterol dan 2,2,4- Trimethyl-3-(3,8,12,16-tetramethyl-heptadeca-3,7,11,15-tetraenyl)-cyclo-hexanol merupakan senyawa bioaktif terbaik berdasarkan BA dengan nilai berturut-turut -8,0 kkal/mol; -7,9 kkal/mol dan -7,7 kkal/mol. Sementara itu, senyawa bioaktif terbaik berdasarkan pola ikatan asam amino yang paling mirip dengan fluoxetine adalah Cyclohexane, 1-methyl-4-(1-methylethenyl)-, cis- dengan nilai BA sebesar -6,7 kkal/mol serta mengandung 7 asam amino terikat yang sama dengan fluoxetine. Temuan ini mengungkapkan potensi MBKA sebagai antidepresan dengan mekanisme penghambatan reuptake serotonin di celah sinaptik melalui protein hSERT sehingga meningkatkan aktivitas serotonergik.
Kata kunci: Antidepresan, human Serotonin Transporter, Coffea arabica L., molecular docking

Depression is a mental illness caused by decreased serotonergic activity in the body. One of the plants known to have antidepressant activity is arabica coffee beans (Coffea arabica L.). This study aims to determine the content of compounds in Arabica coffee bean oil (ACBO) and see the interaction of these compounds on the inhibition of human Serotonin Transporter (hSERT) protein. ACBO samples were obtained from an online market (Essential Formula®). ACBO samples were characterized and analyzed for bioactive compounds using Gas Chromatography-Mass Spectroscopy (GC-MS). All bioactive compounds resulting from the GC-MS analysis were analyzed by molecular docking against hSERT protein using Autodock Vina software to obtain data in the form of binding affinity (BA) values and amino acid binding patterns, in this analysis fluoxetine is used as a positive control. ACBO characterization results show that the sample has a strong coffee aroma, golden yellow in color and liquid. The specific gravity and refractive index values of the ACBO sample were 0.9020 and 1.474, respectively. GC-MS analysis showed that the Arabica coffee bean oil sample contained 34 compound components with the highest percentage of Cyclohexane, 1- methyl-4-(1-Methylethenyl)-, cis- (27.67%). The results of molecular docking analysis showed that stigmasterol, campesterol and 2,2,4-Trimethyl-3-(3,8,12,16-tetramethyl heptadeca-3,7,11,15-tetraenyl)-cyclo-hexanol were the best bioactive compounds based on BA with consecutive values of -8.0 kcal/mol; -7.9 kcal/mol and -7.7 kcal/mol. Meanwhile, the best bioactive compounds based on amino acid bonding patterns that are most similar to fluoxetine are Cyclohexane, 1-methyl-4-(1-methylethenyl)-, cis with BA values of -6.7 kcal/mol and containing the same 7 bound amino acids as fluoxetine. These findings reveal the potential of ACBO as an antidepressant with the mechanism of inhibiting serotonin reuptake at the synaptic cleft through the hSERT protein thereby increasing serotonergic activity. Key words: Antidepressant, human Serotonin Transporter, Coffea arabica L., molecular docking