STUDI HKSA SENYAWA ANALOG QUINOLON-4(1H)-IMINE SEBAGAI ANTIMALARIA MENGGUNAKAN PERHITUNGAN HARTHREE-FOCK

Jafar La Kilo, Akram La Kilo

Abstract


Penelitian ini bertujuan untuk melakukan studi hubungan kuantitatif struktur-aktivitas (HKSA) terhadap senyawa analog Quinolon-4(1H)-imine sebagai agen antimalaria. Pendekatan HKSA digunakan untuk menghubungkan aktivitas biologi molekul dengan deskriptor yang dihasilkan dari perhitungan menggunakan metode kimia kuantum Harthree-Fock Sebanyak 22 senyawa turunan Quinolon-4(1H)-imine digunakan sebagai bahan kajian, dengan perhitungan deskriptor elektronik dan molekul yang berpengaruh terhadap aktivitas antimalaria. Model HKSA dianalisis menggunakan metode regresi linear berganda (MLR) dan delapan model persamaan HKSA terbaik dihasilkan. Model-model tersebut kemudian divalidasi dan model terbaik dipilih berdasarkan parameter statistik yang signifikan. Rancangan senyawa usulan juga dilakukan berdasarkan model terbaik, dengan mengganti substituen pada senyawa turunan Quinolon-4(1H)-imine. Hasil penelitian ini dapat memberikan kontribusi dalam pengembangan obat antimalaria baru dengan pendekatan teoritik dan pemodelan, sehingga dapat mengurangi biaya dan waktu yang diperlukan dalam penemuan dan pengembangan obat antibiotik baru.

Keywords


Senyawa analog Quinolon-4(1H)-imine; Pendekatan HKSA; Density Functional Theory (DFT); Pengembangan obat antimalaria

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References


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DOI: https://doi.org/10.34312/jambchem.v4i1.20008

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