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Quantitative Relationships Analysis of Structure and Activity of Asam-5-Aryledene-N,N’-dimethylbarbituric Derivatives as an Uric Acid Drug

Volume 7, Issue 2, April 2023    |    PP. 15-30    |PDF (492 K)|    Pub. Date: May 22, 2023
DOI: 10.54647/pm310205    13 Downloads     90 Views  

Ruslin Hadanu, Department of Chemistry Education, Faculty of Teacher Training and Education Science, Universitas Sembilanbelas November Kolaka, Indonesia.
Samsia Abd Samad, Department of Chemistry Education, Faculty of Teacher Training and Education Science, Universitas Sembilanbelas November Kolaka, Indonesia.
Muhammad Fath Azzajad, Department of Chemistry Education, Faculty of Teacher Training and Education Science, Universitas Sembilanbelas November Kolaka, Indonesia.

Objective: This study aims to obtain the best equation model for QSAR which can be used as a gout drug. Quantitative analysis of the structure-activity relationship of 5-aryledene-N,N'-dimethylbarbituric acid derivatives has been carried out as a drug for gout.
Methods: QSAR analysis was performed using the PM3 method using atomic net charge, log P, EHOMO, ELUMO, dipole moment (μ), and polarisabilities (α) as descriptors, followed by analysis using the multilinear regression method.
Results: The results of the QSAR analysis of 5-aryledene-N,N'-dimethylbarbituric acid derivatives which were calculated by the multilinear regression method resulted in 4 models of QSAR equations.
Conclusions: Based on the best QSAR equation model (model 3), there is a selected quantitative relantionship with the most suitable parameters to describe the structural relationship of 5-aryledene-N,N’-dimethylbarbituric acid derivatives on xanthine oxidase inhibitor activity, namely atoms (C2), (N3), (C5), and (C6).

Gout, QSAR, 5-Aryledene-N,N’-dimethylbarbituric acid derivatives

Cite this paper
Ruslin Hadanu, Samsia Abd Samad, Muhammad Fath Azzajad, Quantitative Relationships Analysis of Structure and Activity of Asam-5-Aryledene-N,N’-dimethylbarbituric Derivatives as an Uric Acid Drug, SCIREA Journal of Medicine. Vol. 7 , No. 2 , 2023 , pp. 15 - 30 . https://doi.org/10.54647/pm310205


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