STUDI IN SILICO SENYAWA BIOAKTIF DALAM DAUN ZAITUN (Olea europaea L.) SEBAGAI ACE INHIBITOR DALAM HIPERTENSI
DOI:
https://doi.org/10.36423/pharmacoscript.v7i2.1763Keywords:
Penambatan Molekuler, ACE Inhibitors, Hipertensi, Daun ZaitunAbstract
Daun zaitun (Olea europaea L.) telah diketahui memiliki efek penurunan tekanan darah dengan salah satu mekanismenya ialah mempengaruhi aktivitas angiotensin-converting enzyme (ACE), namun aktivitas molekuler pada enzim tersebut masih belum ditelusuri. Studi ini bertujuan untuk mengevaluasi potensi senyawa metabolit sekunder dari daun zaitun terkait dengan karakteristik fisikokimiawi dan profil ADMET, serta interaksinya terhadap ACE melalui studi komputasi. Berdasarkan Samy et al., 2022, dipilih 10 senyawa daun zaitun yang memenuhi Rule of Five dari beberapa senyawa diteliti serta dievaluasi berdasarkan kaidah Lipinski, profil ADMET, skrining farmakofor, dan penambatan molekul. Berdasarkan hasil studi yang dilakukan, senyawa oleuropein aglikon menunjukkan aktivitas paling potensial terhadap target protein ACE (kode PDB: 3BKL) dengan data nilai ikatan bebas dan konstanta inhibisi paling kecil yaitu -7,73 kkal/mol dan 2,16 µM, serta memiliki interaksi pada residu asam amino HIS A: 513 dan TYR A: 523. Hasil studi ini menambah bukti saintifik terkait pengaruh senyawa bioaktif pada daun zaitun khususnya oleuropein aglikon terhadap protein ACE sehingga berpotensi dalam memberikan efek penurunan tekanan darah.
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