Acta Chimica Asiana
Vol. 3 No. 2 (2020)

Design of Trolox Compounds as Antioxidant and Their Analysis Using Quantitative Structure Activity Relationship

Hasmalina Nasution (Departement of Chemistry, Muhammadiyah University of Riau, Pekanbaru)
Nur Enizan (Departement of Chemistry, Muhammadiyah University of Riau, Pekanbaru, Indonesia)
Nurlaili Nurlaili (Departement of Chemistry, Muhammadiyah University of Riau, Pekanbaru)
Jufrizal Syahri (Universitas Muhammadiyah Riau)

Article Info

Publish Date
18 Oct 2020

Abstract

Antioxidant compound can inhibit the oxidation of lipids and other biomolecules. The role of antioxidants is very important in neutralizing and destroying free radicals that can cause the damage to cells in the body. This research was carried out to design trolox derivate compounds as antioxidants using the QSAR method. The semi empirical AM1(Austin Model 1)method was used to generate the QSAR model. The statistical analysis result using multiple linier regression methods revealed thet antioxidant activity was influenced by the descriptors of qC1, qC4, qO7, qC13 and qO18. The QSAR equation model obtained was log IC50 = 0.821 + 7.067 (qC1) + 2.585 (qC4) + 4.812 (qO7) – 5.363 (qC13) – 0.887 (qO18) with the best predicted IC50 value was 4.699 µM. Keywords: Antioxidants, QSAR, semi empirical AM1, trolox

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Journal Info
Acta Chimica Asiana
Website

Abbrev

ACA

Publisher

Universitas Mataram

Subject

Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Energy Materials Science & Nanotechnology

Description

Acta Chimica Asiana (online ISSN 2550-0503, print ISSN 2550-049x) is a peer-reviewed, open access journal that publishes high-quality original research articles as well as review articles and short communication in all areas of Chemistry, including Chemical Education and Chemical Engineering. The ...