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<http://repository.uhamka.ac.id/id/eprint/636> <http://purl.org/dc/terms/title> "HKSA DAN PENAMBATAN MOLEKULER SENYAWA TURUNAN 2-ARYL-3-NITRO-2H-CHROMENE UNTUK TERAPI KANKER PAYUDARA"^^<http://www.w3.org/2001/XMLSchema#string> .
<http://repository.uhamka.ac.id/id/eprint/636> <http://purl.org/ontology/bibo/abstract> "Senyawa 2-aryl-3-nitro-2H-chromene merupakan senyawa yang dihasilkan dari analog hibrida nitrovinylstilbene yang berfungsi sebagai agen pro-apotosis terutama pada sel kanker payudara. Untuk mencari aktivitas biologis yang lebih baik, maka perlu dilakukan modifikasi senyawa, kemudian dilakukan studi hubungan kuantitatif struktur aktivitas (HKSA) dengan pendekatan Hansch berdasarkan analisis multiregresi linier dan penambatan molekul untuk menganalisa interaksi dari turunan 2-aryl-3-nitro-2H-chromene terhadap topoisomerase II. Deskriptor yang digunakan mewakili parameter hidrofobik, parameter sterik, dan parameter elektronik. Persamaan HKSA yang didapatkan divalidasi dengan menghitung nilai RMSD dan PRESS. Hasil persamaan HKSA terbaik adalah Log IC50 = 19.282 + 1.581 E-5 x (AM1_Eele) + 1.537 x (AM1_Homo) - 0.059 x (ASA_H) + 1.715 x (glob) - 1.278 x (Log P) + 0.137 x (vol). Hasil penambatan molekuler menunjukkan bahwa senyawa 1C mempunyai aktivitas terbaik dibanding senyawa lain dengan (ΔGbind) terendah (-9.0 Kcal/mol), dan hasil HKSA memiliki nilai IC50 prediksi terkecil (0.021145 μM)."^^<http://www.w3.org/2001/XMLSchema#string> .
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