EduChemia: Jurnal Kimia dan Pendidikan
Vol 7, No 1 (2022)

Michelia Alba Flower Oil Components as Tyrosinase Inhibitors: In Silico Study

Paundra Rizky Pratama (Institut Teknologi Sepuluh Nopember)
Felysia Isman (Institut Teknologi Sepuluh Nopember)
Cici Muarifah (Institut Teknologi Sepuluh Nopember)
Wahida Annisa Ermadayanti (Institut Teknologi Sepuluh Nopember)
Arif Fadlan (Institut Teknologi Sepuluh Nopember)



Article Info

Publish Date
30 Jan 2022

Abstract

Melanin is generally known as a protector of human skin against radiation. However, the excessive production of melanin induces hyperpigmentation and other skin disorders. Arbutin, kojic acid, and hydroquinone have been used as inhibitors for tyrosinase which involves the synthesis of melanin through melanogenesis, but they show adverse effects. This article reports the potential of methyl 2-methylbutyrate, β-pinene, limonene, 1,8-cineole, linalool, α-terpineol, geraniol, and β-phenyl ethylalcohol contained in the essential oils of Michelia alba as tyrosinase inhibitors by in silico study. The experiments were conducted through molecular docking against a human tyrosinase protein target (1BUG) followed by absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction. Geraniol, β-phenyl ethyl alcohol, α-terpineol, and limonene yielded better docking scores than hydroquinone. These four compounds and 1,8-cineole and β-pinene, showed lower docking scores than kojic acid. The compounds interacted with 1BUG through hydrogen bonding, Van der Walls, alkyl/π-alkyl interactions, and π-π stacking. ADMET analysis indicated that they were potential candidates for oral drugs.

Copyrights © 2022






Journal Info

Abbrev

EduChemia

Publisher

Subject

Chemical Engineering, Chemistry & Bioengineering Chemistry Education Materials Science & Nanotechnology

Description

Focus and Scope Educhemia (Jurnal Kimia dan Pendidikan) is Periodicals published the results of research related to the development of science and technology in the field of Chemistry and Chemistry education as a form of intellectual property Chemistry: Organic chemistry, Inorganic chemistry, ...