Profil ADME, Toksisitas, dan Efikasi In Silico d-Limonene terhadap Oryctes rhinoceros
DOI:
https://doi.org/10.54387/semnasbun.v1i1.202Keywords:
Kelapa sawit, Oryctes rhinoceros, bioinsektisida, molecular docking, d-LimoneneAbstract
Kumbang tanduk (Oryctes rhinoceros L.) merupakan hama utama pada tanaman kelapa sawit (Elaeis guineensis Jacq.) yang tingkat infeksinya dapat mencapai hampir 100%, terutama di area peremajaan yang banyak terdapat sisa-sisa batang membusuk sebagai media perkembangbiakan. Pengendalian hama ini memerlukan alternatif yang lebih ramah lingkungan dibandingkan insektisida sintetis. Penelitian ini bertujuan untuk mengidentifikasi senyawa fitokimia kandidat bioinsektisida terbaik melalui pendekatan in silico terhadap protein target Oryctes rhinoceros. Metode yang digunakan meliputi skrining farmakokinetik (ADME) berdasarkan Aturan Lipinski dan Hao, analisis ekotoksisitas non-target menggunakan ProTox 3.0, toksisitas terhadap manusia menggunakan, serta molecular docking menggunakan PyRx, PyMOL, dan BIOVIA Discovery Studio terhadap tiga protein target, yaitu Defensin, Rhinocerosin, dan Scarabaecin. Sepuluh senyawa fitokimia dianalisis, meliputi d-Limonene, Eugenol, Citronellal, Dillapiole, Diplopterol, Clerodin, 12'-Hydroxy-7'-Multijuguinone, Azadirachtin, Squamocin, dan Rotenone. Berdasarkan profil ADME dan toksisitas menunjukkan bahwa d-Limonene, Eugenol, dan Citronellal merupakan senyawa fitokimia potensial yang layak dilanjutkan ke tahap penambatan molekuler. Hasil penambatan molekuler menunjukkan bahwa d-Limonene memiliki afinitas pengikatan tertinggi dan paling konsisten terhadap ketiga protein target (Rhinocerosin: −5,7 kkal/mol; Scarabaecin: −5,3 kkal/mol; Defensin: −4,3 kkal/mol), dengan interaksi didominasi ikatan hidrofobik Alkil dan Pi-Alkil terhadap residu PHE, TYR, LEU, VAL, dan ILE. Rotenone dan Squamocin didiskualifikasi karena toksisitas fatal pada manusia dan spektrum racun ekologis yang luas. Kesimpulannya, d-Limonene merupakan kandidat bioinsektisida paling prospektif terhadap Oryctes rhinoceros berdasarkan integrasi profil ADME, keamanan lingkungan, dan kekuatan interaksi molekuler terhadap protein target serangga.
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Copyright (c) 2026 Andre Chandra, Zhafirah Amalia, Lusiana Hidayati, Maulin Eka Cahyani, Fijar Muhamad Fathurohman
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