ANALISIS HUBUNGAN KUANTITATIF STRUKTUR-AKTIVITAS UNTUK STABILITAS SENYAWA ANTOSIANIN DAN AGLIKONNYA

Sotyaningsih, Irene Wahyuningtyas (2022) ANALISIS HUBUNGAN KUANTITATIF STRUKTUR-AKTIVITAS UNTUK STABILITAS SENYAWA ANTOSIANIN DAN AGLIKONNYA. Skripsi thesis, Universitas Setia Budi.

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Abstract

Anthocyanin is a compound used as an antioxidant, but pH and temperature can cause degradation of anthocyanin. The purpose of this study was to find descriptors and model have relation with antioxidant activity of anthocyanin. In the QSAR method, it was necessary to optimize the geometry of the anthocyanin structure, which used semiempirical AM-1. Then calculate the descriptors. Descriptors used in this study were Log P, energy Somo and Lumo, polarizability, atomic polarity, TPSA, TASA, PSA, molecular weight, ionization potential, gravitation index, energy electronic, atomic charge, dipole, nta, molar refractivity, and heat of formation. The descriptors value obtained will be analyzed to determine the relationship between the descriptor with antioxidant activity. It used the MLR method, which can produce a model. The model will be validated using LOO (leave one Out), then can create the validated model that is related to antioxidant activity of anthocyanin. The model could increase the biological activity of anthocyanin by Log IC50= 1.030088 + 0.005801 (heat of formation) - 0.01053 (TASA) - 0.14989 (dipole) + 0.36186 (ionization potential) + 0.043292 (grav). The model has values of R, R2, F and Q2 of 0,955751 (R); 0,913461 (R2); 2,887049 (F); and 0,687414 (Q2). Based on the model, it knows that the descriptors have relationship with antioxidant activity and the predicted Log IC50 value. Based on the predicted Log IC50 value, it was found that there was an increase in antioxidant activity, which was good. Keyword : QSAR, anthocyanin, antioxidant activity, stability .

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	QSAR, anthocyanin, antioxidant activity, stability .
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S1 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	30 Nov 2022 02:46
Last Modified:	30 Nov 2022 02:46
URI:	http://repo.setiabudi.ac.id/id/eprint/5523

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