Analisis In Silico Potensi Antidepresan Senyawa Aktif Kemangi (Ocimum basilicum L.) melalui Inhibisi Monoamin Oksidase A (MAOA)

Abstract

Depresi merupakan kondisi gangguan emosi yang secara klinis disebabkan oleh defisiensi neurotransmiter monoamin (serotonin, noreprinefrin dan dopamin). Monoamin oksidase A (MAOA) berperan sebagai regulator utama homeostasis ketiga neurotransmiter tersebut. Kemangi mengandung senyawa flavonoid dan minyak atsiri yang berpotensi sebagai inhibitor MAOA. Penelitian ini bertujuan mengidentifikasi senyawa aktif kemangi yang memiliki potensi terbaik sebagai antidepresan melalui inhibisi MAOA berdasarkan nilai energi bebas ikatan (∆G), konstanta disosiasi (Kd), interaksi ligan-reseptor dan bioavailabilitas. Penelitian dilakukan secara in silico melalui metode penambatan molekuler menggunakan aplikasi YASARA Structure. Hasil penelitian menunjukkan bahwa terdapat 11 senyawa aktif kemangi yang berpotensi sebagai inhibitor MAOA dengan nilai ∆G lebih rendah dibandingkan moclobemide (obat komersil) yaitu naringenin, kaempferol, apigenin, genkwanin, quercetin, zingiberene, beta-bisabolene, alpha-farnesene, beta-sesquiphellandrene, nepetodin A dan hesperitin. Naringenin merupakan senyawa aktif kemangi yang memiliki potensi inhibisi MAOA terbaik dengan nilai ∆G sebesar -9.325 Kkal/mol dan Kd 0.146 μM.

Depression is an emotional disorder condition that is clinically caused by a deficiency of monoamine neurotransmitters (serotonin, norepinephrine, and dopamine). Monoamine oxidase A (MAOA) acts as a major regulator of the homeostasis of these three neurotransmitters. Basil contains flavonoid and essential oil compounds that have the potential as MAOA inhibitors. This study aims to identify the active compound of basil which has the best potential as an antidepressant through MAOA inhibition based on the value of free energy of binding (∆G), dissociation constant (Kd), ligand-receptor interaction and bioavailability. The research was conducted in silico through the molecular docking method using the YASARA Structure application. The results showed that there were 11 active compounds of basil that had the potential as MAOA inhibitor with ∆G value lower than moclobemide (commercial drug), there were naringenin, kaempferol, apigenin, genkwanin, quercetin, zingiberene, beta bisabolene, alpha-farnesene, beta-sesquiphellandrene, nepetodin A dan hesperitin. Naringenin is the active compound of basil which has the best MAOA inhibition potential with a free energy of binding value of -9.325 Kcal/mol and Kd 0.146 M.