AKTIVITAS ANTIKOSIDAN EKSTRAK BUNGA TELANG
(Clitoria Ternatea L) SECARA IN SILICO
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Institusion
Universitas Djuanda
Author
Kurniawati, Febryana Rahayu
Subject
Q Science (General)
Datestamp
2022-03-30 03:08:24
Abstract :
ABSTRACT Febryana Rahayu Kurniawati. B1611048. Antioxidant Activity of Extract Butterfly Pea Flower (Clitoria ternatea L) by In Silico. Supervised by Tiana Fitrilia, M. Fakih Kurniawan, and Tirta Setiawan. Cell in the body can produce free radicals and reactive oxygen spesies (ROS). Free radicals can be damaging if there is oxidative stress, free radicals can be suppressed by compounds such as phenolics which act as antioxidant. This research was designed to determaine the potential of butterfly pea flower extract as an antioxidant that inhibits ROS based on bond affinity, Root Means Square Deviation (RMSD) value and interactions that occur in silico (molecular docking). The results of molecular docking butterfly pea extract compounds showed that the RMSD value was greater than that of GTP ligand as the comparison ligan. In addition, the molecular docking showed the Gibss energy (?Gbind ) value of -3,6 kca/mol until -6,2 kcal/mol. The docking results showed that butterfly pea flower extract ligand inetraction with receptor that have similarities in terms oh hydrogen, electrostatic, and hydrophobic bonds are caffeine with the same amino acid residues as the validation ligand for the receptors, namely ASP118, GLY15, CYS18, ALA159, LEU160, LYS116, and PHE28.The stability of the butterfly pea flower extract compound bond stability is predicted to be quite stable which is supported by the addition of electrostatic bonds and hydrophobic bonds. Keywords: free radicals, antioxidant, butterfly pea flower, molecular docking
ABSTRACT Febryana Rahayu Kurniawati. B1611048. Antioxidant Activity of Extract Butterfly Pea Flower (Clitoria ternatea L) by In Silico. Supervised by Tiana Fitrilia, M. Fakih Kurniawan, and Tirta Setiawan. Cell in the body can produce free radicals and reactive oxygen spesies (ROS). Free radicals can be damaging if there is oxidative stress, free radicals can be suppressed by compounds such as phenolics which act as antioxidant. This research was designed to determaine the potential of butterfly pea flower extract as an antioxidant that inhibits ROS based on bond affinity, Root Means Square Deviation (RMSD) value and interactions that occur in silico (molecular docking). The results of molecular docking butterfly pea extract compounds showed that the RMSD value was greater than that of GTP ligand as the comparison ligan. In addition, the molecular docking showed the Gibss energy (?Gbind ) value of -3,6 kca/mol until -6,2 kcal/mol. The docking results showed that butterfly pea flower extract ligand inetraction with receptor that have similarities in terms oh hydrogen, electrostatic, and hydrophobic bonds are caffeine with the same amino acid residues as the validation ligand for the receptors, namely ASP118, GLY15, CYS18, ALA159, LEU160, LYS116, and PHE28.The stability of the butterfly pea flower extract compound bond stability is predicted to be quite stable which is supported by the addition of electrostatic bonds and hydrophobic bonds. Keywords: free radicals, antioxidant, butterfly pea flower, molecular docking
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