Keywords
aphrodisiac
lc-ms/ms
in silico
Abstract
Abstrak Latar belakang: Rennellia elliptica Korth. secara tradisional digunakan sebagai zat afrodisiak. Dilihat dari potensinya, bukti ilmiah ekstrak tumbuhan ini sebagai penghambat phosphodiesterase-5 masih belum dilakukan Tujuan: Penelitian ini bertujuan untuk mengetahui senyawa fitokimia yang terdapat pada ekstrak etanol 70% tanaman rennellia elliptica Korth. menggunakan LC-MS/MS dan aktivitas afrodisiakan secara in silico. Metode: Ekstrak etanol rennellia elliptica Korth. dianalisis menggunakan LC-MS/MS selanjutnya senyawa tersebut digunakan sebagai senyawa ligan dalam penambatan molekuler untuk mengetahui afinitas pengikatan konstituen fitokimia tersebut terhadap protein target phosphodiesterase 5 (PDB ID: 2H42). Hasil: Ditemukan 17 komponen senyawa antara lain golongan terpenoid, fenilpropanoid, antrakuinon dan flavonoid. Berdasarkan studi in silico dari 17 senyawa yang dianalisis dengan LC-MS/MS, Dulxanthone B (∆G=-9,52 kkal/mol) menunjukkan afinitas tertinggi untuk berikatan dengan target protein. Simpulan: Senyawa fitokimia dari rennellia elliptica Korth. dapat berfungsi sebagai terapi tambahan dalam penemuan obat untuk pengobatan yang menghambat phosphodiesterase 5. Abstract Background: Rennellia elliptica Korth. is traditionally used as an aphrodisiac substance. Judging from its potential, scientific evidence of this plant extract as a phosphodiesterase-5 inhibitor has yet to be conducted. Objective: . This research aims to determine the phytochemical compounds contained in the 70% ethanol extract of the Rennellia elliptica Korth plant. using LC-MS/MS. Method: The ethanol extract of rennellia elliptica Korth. was analyzed using LC-MS/MS and then the compounds were used as ligand compounds in molecular docking to determine the binding affinity of the phytochemical constituents to the target protein phosphodiesterase 5 (PDB ID: 2H42). Results: 17 compound components were found, including terpenoids, phenylpropanoids, anthraquinones and flavonoids. Based on in silico studies of 17 compounds analyzed by LC-MS/MS, Dulxanthone B (∆G=-9.52 kcal/mol) showed the highest affinity for binding to protein targets.. Conclusions: Phytochemical compounds from Rennellia elliptica Korth. may serve as an adjunct therapy in drug discovery for treatment that inhibits phosphodiesterase 5.References
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