PREDIKSI POTENSI DEPIGMENTASI TOPIKAL SENYAWA TURUNAN RETINOID MENGGUNAKAN STUDI HUBUNGAN KUANTITATIF STRUKTUR DAN AKTIVITAS

Nurmakruf, Citra (2021) PREDIKSI POTENSI DEPIGMENTASI TOPIKAL SENYAWA TURUNAN RETINOID MENGGUNAKAN STUDI HUBUNGAN KUANTITATIF STRUKTUR DAN AKTIVITAS. Skripsi thesis, Universitas Setia Budi.

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Abstract

Retinoid derivatives have been shown to have good depigmenting potential, although the therapeutic window is narrower due to their higher toxicity. Quantitative structure and activity relationship studies were conducted on retinoid-derived compounds as candidates for new topical depigmenting agents. The purpose of this study was to obtain the HKSA equation that can be used as a model to predict depigmentation activity of retinoid derivative compounds in order to obtain a design of retinoid derived compounds that have better depigmentation activity. This study used eight retinoid-derived compounds that had experimental depigmentation activity which were divided into two groups, namely training sets and test sets. Compounds were optimized and descriptor values were calculated using the OCHEM web. The descriptor value and depigmentation activity of the training set compounds were regressed using PSPP 1.4.1 using the enter method. The influential descriptors are MW, HOMO, and LUMO. QSAR equation obtained was IC50 depigmentation = 203,6 + (0,19*MW) + (31,01*HOMO) – (25,91*LUMO) with statistical criteria R = 1; R2 = 1; Fcount/table = 38.69; q2 = 0.96; and R2 prediction = 0.7519. The modifications made have not yet obtained compounds with better predictive results of depigmentation activity. Keywords: Retinoid derivative compounds, Quantitative Structure and Activity Relationship (QSAR), descriptors, IC50 depigmentation.

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	Retinoid derivative compounds, Quantitative Structure and Activity Relationship (QSAR), descriptors, IC50 depigmentation.
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S1 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	21 Jul 2022 03:58
Last Modified:	21 Jul 2022 03:58
URI:	http://repo.setiabudi.ac.id/id/eprint/4950

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