KAJIAN HKSA SENYAWA TIOFENA TERHADAP Staphylococcus Aureus

Mallingara, Yoseph Ervan (2022) KAJIAN HKSA SENYAWA TIOFENA TERHADAP Staphylococcus Aureus. Skripsi thesis, Universitas Setia Budi.

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Abstract

Quantitative Structure-Activity Relationships (HKSA) or Quantitative Structure-Activity Relationships (QSAR) are mathematical relationships that relate chemical structure and pharmacological activity quantitatively for a series of compounds. Thiophene is a heterocyclic aromatic compound based on a five- membered ring consisting of one sulfur atom and four carbons. The aim of this study was to produce the best HKSA equation model for thiophene derivatives with antibacterial activity. Thisstudy used 18 compounds which were divided into two groups, namely 15compounds (training sets) and 3 compounds (test sets). A total of 13 descriptors were calculated representing hydrophobic parameters, electronic parameters, and stericparameters. Log 1/IC50 activity and descriptor values of the experimental compoundsfrom the training sets were regressed with BuildQSAR. The compound with the lowestvalue is the best compound because it has good inhibition ability. The results showed that the most influential descriptor was qC1, and the HF with the best HKSA equation was MIC= + 5799.1538(± 2312.7548) qC1 -238.5846(± 89.7130) qN10 - 7.5366(± 2.9209) HOMO + 0.1530(± 0.0709)Ehydration + 0.0237( ± 0.0180) HF + 157.8556(±71.2827) (n = 15; R = 0.920 ;s = 0.474 ;F = 9.915 ;Q2 = 0.501 ;SPress =0.854 ;SDEP = 0.685) Fcount/table = 9.915. Also the designed compound which has a more potent activity predictive value is Ethyl (E)-2-((1-(2- iodophenyl) ethylidene) amino)-4,5,6,7 tetrahydrobenzo [b] thiophene-3-carboxylate with a value IC50 of 0.12 (µM). Key words : Antibacterial, BuildQSAR, HKSA, Thiophene

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	Antibacterial, BuildQSAR, HKSA, Thiophene
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S1 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	03 Jul 2023 04:30
Last Modified:	03 Jul 2023 04:30
URI:	http://repo.setiabudi.ac.id/id/eprint/5965

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