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

Nasution, Hasmalina; Enizan, Nur; Nurlaili, Nurlaili; Syahri, Jufrizal

doi:10.29303/aca.v3i2.40

Cited by 2 publications

(1 citation statement)

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“…van Tiegh) were carried out in vitro. To ensure the activity resulting from the compounds in the parasite, an In silico activity test using molecular docking [5][6][7], so that the interaction produced by the compound to the amino acids of the target protein used is known. Based on the above background, a study was conducted to test the activity of jackfruit parasite leaves (M. cochinchinensis (Lour) van Tiegh) against pathogenic bacteria Staphylococcus aureus and Escherichia coli.…”

Section: Introductionmentioning

confidence: 99%

Evaluation of the Antibacterial Activity of the Jackfruit Parasite Leaf Plant Extract (Macrosolencochinchinensis (Lour.) van Tiegh) with Vitro and In Silico approach

Hilma¹,

Harahap

Syahri

2022

Acta.Chim.Asiana

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In traditional Melayu Riau medicine, the jackfruit parasite plant, also known as Macrosolen cochinchinensis (Lour.) van Tiegh, has been utilized as a remedy for coughs, a treatment for cancer, a diuretic, and to speed up the recovery process after giving birth. Through in vitro and in silico testing, the purpose of this investigation is to learn more about the bioactive components and antibacterial activity of n-heksan, etilasetat, and etanol obtained from the extracts of the jackfruit parasite plant (Macrosolen cochinchinensis (Lour.) van Tiegh. The disc diffusion method was used for the in vitro testing, and the molecular docking method was used for the in silico testing, both of which were conducted against Staphylococcus aureus ATCC 12600 and Escherichia coli ATCC 25922. Each sample extract was prepared in three different concentrations (10%, 30%, and 50%), while chloramphenicol was used as the positive control. Inhibition zones of the extract against E. coli bacteria were found to be as follows: 6 mm, 8.4 mm, and 10.6 mm for the n-hexane extract; 8.2 mm, 10.7 mm, and 15.6 mm for the ethyl acetate extract; and 6 mm, 7.1 mm, and 14.1 mm for the methanol extract. The results of the test to determine the extract's antibacterial activity were as follows: The following is a list of the zones of inhibition that the extract has against S. aureus bacteria: 6 mm, 7.5 mm, and 13.7 mm in diameter for the extract of n-hexane; 12.8 mm, 14.2 mm, and 19.2 mm in diameter for the extract of ethyl acetate. Test results of 7.2 mm, 9.3 mm, and 15.3 mm were obtained for the methanol extract. In accordance with the findings of the study, the ethyl acetate extract of jackfruit parasite leaves exhibited the highest level of antibacterial activity, as measured by an inhibition zone diameter of 19.2 mm, when tested on S. aureus bacteria. In the meantime, the results of molecular docking of punicalin and rutin, which have been reported to have activity against proteins 6GOS.pdb and 1OJZ.pdb, have potential as antibacterials because they form 5 and 9 hydrogen bonds with important amino acids of the target protein, with cDOCKER values of -57.9239 and -88.3993, respectively. This suggests that punicalin and rutin have the ability to inhibit the growth of bacteria.

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Section: Introductionmentioning

confidence: 99%