MOLEKULER DOCKING SENYAWA TURUNAN BENZIMIDAZOLE DENGAN PROTEIN TARGET EGFR SEBAGAI OBAT ANTI-KANKER PAYUDARA
DOI:
https://doi.org/10.36526/jc.v8i2.7203Keywords:
Molekuler Docking, Kanker payudara, ADMET, Turunan Benzimidazole, EGFRAbstract
Kanker merupakan salah satu penyebab utama kematian di seluruh dunia. Di antara berbagai jenis kanker, kanker payudara menempati posisi yang sangat penting sebagai penyebab utama kematian pada wanita di seluruh dunia. Selain itu, Reseptor Faktor Pertumbuhan Epidermal (EGFR) juga dapat berperan dalam memicu perkembangan kanker payudara. Gugus benzimidazol memungkinkan berbagai pola substitusi pada tujuh posisi, yang memungkinkan bioaktivitas yang beragam dan unik dalam beberapa kelas obat. Senyawa ini memiliki banyak manfaat medis, termasuk antijamur, antikanker, antiulkus, antimikroba, antikoagulan, antivirus human cytomegalovirus (HCMV), antiinflamasi, dan penghambat HIV-1. Perkembangan teknologi telah memungkinkan pemodelan obat menggunakan metode in silico. Salah satu metode yang banyak digunakan adalah molecular docking, yaitu simulasi komputer untuk memprediksi interaksi ligan dengan reseptor target pada situs aktifnya. Hasil senyawa turunan benzimidazol 4d, 4e, dan 4i yang paling stabil diperoleh dan mencapai profil kelayakan ADMET terbaik. Pendekatan in silico yang digunakan dalam penelitian ini terbukti efektif untuk mempercepat seleksi senyawa turnan benzimidazole sebagai penentu (dice) untuk obat antikanker payudara.
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