Durio zibethinus rind as tyrosinase inhibitor for skin whitening agents in cosmetic products: RSM, COSMO-RS, PCA and molecular docking studies

Ismail, Sofiyyah and Shamsuri, Syamimi Sulfiza and Abdullah, Erna Normaya and Ahmad, Mohammad Norazmi (2020) Durio zibethinus rind as tyrosinase inhibitor for skin whitening agents in cosmetic products: RSM, COSMO-RS, PCA and molecular docking studies. In: Virtual Symposium on Science 2020, 2nd November 2020, UiTM Kuala Pilah (Google Meet). (Unpublished)

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Abstract

In this study, Response surface methodology (RSM) and Supercritical fuid extraction (SFE) were used to optimize the extraction of the polyphenols from Durio zibethinus rind. The optimized extraction variables conditions were found at at 5050 psi pressure, 60°C temperature and 80 min extraction time. Then Gas chromatography–mass spectrometry (GC-MS) and Principal component analysis (PCA) were used to identified and classify the major compound (Aspidospermidin-17-ol, 1-Acetyl-19, 21-Epoxy-15, 16-Dimethoxy; AP) as tyrosinase inhibitor, respectively. in the crude extract. Based on sigma profile in COSMO RS method, hydrogen bond plays a main role during the polyphenols extraction using carbon dioxide as a solvent. The DPPH method was used to study antioxidant properties of the extract with 37.85% scavenging activity. Molecular electrostatic potential (MEP) and molecular docking were done to identify and investigate the AP’s reactivity site and interaction that contribute to tyrosinase inhibition, respectively. Molecular docking simulation results indicated that AP in D. zibethinus presented their inhibitory mechanism mainly via van der Waals and π interaction.

Item Type:	Conference or Workshop Item (Slide Presentation)
Additional Information:	7149/86899
Uncontrolled Keywords:	Response surface methodology (RSM) ; Durio zibethinus: Tyrosinase; COSMO RS
Subjects:	Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button):	Kulliyyah of Science > Department of Chemistry
Depositing User:	Dr Mohammad Norazmi Ahmad
Date Deposited:	28 Dec 2020 11:59
Last Modified:	28 Dec 2020 11:59
URI:	http://irep.iium.edu.my/id/eprint/86899

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