Studi In Silico Profil ADMET Senyawa Aktif Tanaman Telang (Clitoria ternateae L.)
DOI:
https://doi.org/10.29313/bcsp.v6i2.25037Keywords:
Clitoria ternatea, ADMET, In silicoAbstract
Abstract. Clitoria ternatea L. is a medicinal plant containing various bioactive compounds with potential for drug development. This study aimed to evaluate the ADMET profile of Clitoria ternatea L. active compounds using an in silico approach. Active compounds were identified through the Knapsack database, and their chemical structures were analyzed using SwissADME to predict physicochemical properties, pharmacokinetics, drug-likeness, and medicinal chemistry parameters. Toxicity profiles were subsequently assessed using ProTox-II. The results indicated that most compounds exhibited favorable physicochemical characteristics, good gastrointestinal absorption, and acceptable drug-likeness profiles, suggesting their potential as oral drug candidates. Toxicity prediction showed that the selected compound had an LD50 value of 5000 mg/kg and belonged to toxicity class 5. It was predicted to be non-hepatotoxic, non-neurotoxic, non-mutagenic, non-carcinogenic, non-immunotoxic, and non-cytotoxic, although a potential nephrotoxic effect was identified. These findings suggest that in silico analysis is a useful preliminary screening tool for identifying promising drug candidates from Clitoria ternatea L.; however, further in vitro and in vivo studies are required to confirm their efficacy and safety.
Abstrak. Clitoria ternatea L. merupakan tanaman herbal yang mengandung berbagai senyawa bioaktif dan berpotensi dikembangkan sebagai kandidat obat. Penelitian ini bertujuan menganalisis profil ADMET senyawa aktif Clitoria ternatea L. menggunakan pendekatan in silico. Identifikasi senyawa dilakukan melalui basis data Knapsack, kemudian struktur senyawa dianalisis menggunakan SwissADME untuk mengevaluasi sifat fisikokimia, farmakokinetik, drug-likeness, dan medicinal chemistry. Selanjutnya, profil toksisitas diprediksi menggunakan ProTox-II. Hasil analisis menunjukkan bahwa sebagian besar senyawa memiliki karakteristik fisikokimia yang mendukung pengembangan sebagai kandidat obat oral, dengan prediksi absorpsi gastrointestinal yang baik dan memenuhi parameter drug-likeness. Analisis toksisitas menunjukkan bahwa senyawa yang dipilih memiliki nilai LD50 sebesar 5000 mg/kg dan termasuk kelas toksisitas 5, serta tidak diprediksi bersifat hepatotoksik, neurotoksik, mutagenik, karsinogenik, imunotoksik, maupun sitotoksik, meskipun terdapat potensi nefrotoksisitas yang memerlukan kajian lebih lanjut. Penelitian ini menunjukkan bahwa pendekatan in silico dapat digunakan sebagai metode penyaringan awal dalam mengidentifikasi senyawa aktif tanaman telang yang berpotensi dikembangkan sebagai kandidat obat, namun tetap memerlukan validasi melalui pengujian in vitro dan in vivo.
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