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

Authors

  • 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

DOI:

https://doi.org/10.29303/aca.v3i2.40

Keywords:

antioxidants, QSAR, semi empirical, trolox

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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Published

2020-10-18

How to Cite

Nasution, H., Enizan, N., Nurlaili, N., & Syahri, J. (2020). Design of Trolox Compounds as Antioxidant and Their Analysis Using Quantitative Structure Activity Relationship. Acta Chimica Asiana, 3(2), 181–186. https://doi.org/10.29303/aca.v3i2.40

Issue

Vol. 3 No. 2 (2020)

Section

Articles

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