QSAR Study on Diacylgycerol Acyltransferase-1 (DGAT-1) Inhibitor as Anti-diabetic using PSO-SVM Methods

Diabetes mellitus is a chronic disease that can occurred to anyone. Up until now, there are no specific drugs that have been found which can completely cure diabetes. One of the possible steps to treat diabetes mellitus is by inhibiting the growth of Diacylglycerol Acyltransferase-1 (DGAT-1) enzyme....

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Main Authors: I Kadek Andrean Pramana Putra Pramana, Reza Rendian Septiawan, Isman Kurniawan
Format: Article
Language:English
Published: Ikatan Ahli Informatika Indonesia 2022-10-01
Series:Jurnal RESTI (Rekayasa Sistem dan Teknologi Informasi)
Subjects:
Online Access:http://jurnal.iaii.or.id/index.php/RESTI/article/view/4294
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author I Kadek Andrean Pramana Putra Pramana
Reza Rendian Septiawan
Isman Kurniawan
author_facet I Kadek Andrean Pramana Putra Pramana
Reza Rendian Septiawan
Isman Kurniawan
author_sort I Kadek Andrean Pramana Putra Pramana
collection DOAJ
description Diabetes mellitus is a chronic disease that can occurred to anyone. Up until now, there are no specific drugs that have been found which can completely cure diabetes. One of the possible steps to treat diabetes mellitus is by inhibiting the growth of Diacylglycerol Acyltransferase-1 (DGAT-1) enzyme. This study aims to build a QSAR model on DGAT-1 inhibitors as anti-diabetic using Particle Swarm Optimization (PSO) and Support Vector Machine (SVM). Acyl-CoA: DGAT1 is a mikrosomal enzyme in lipogenesis which is increased in metabolically active cells to meet nutrient requirements. Microsomal-enzymes-that have an-important in the triglyceride-synthesis process-of 1,2-diacylglycerol by-catalyzing-acyl-coa-dependent-acylations as anti-diabetics. The dataset used in this study consists of 228 samples containing molecular structures and their inhibitor activities. We reduce the number of features by removing features with a standard deviation less than the threshold value, followed by the PSO algorithm. The best-predicted result is obtained through the implementation of SVM with RBF kernel, with the score of and  are 0.75 and 0.67, respectively.
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spelling doaj.art-c7d74b0c527a40aebe5225d12ca951242024-02-02T07:10:19ZengIkatan Ahli Informatika IndonesiaJurnal RESTI (Rekayasa Sistem dan Teknologi Informasi)2580-07602022-10-016573574110.29207/resti.v6i5.42944294QSAR Study on Diacylgycerol Acyltransferase-1 (DGAT-1) Inhibitor as Anti-diabetic using PSO-SVM MethodsI Kadek Andrean Pramana Putra Pramana0Reza Rendian SeptiawanIsman KurniawanTelkom UniversityDiabetes mellitus is a chronic disease that can occurred to anyone. Up until now, there are no specific drugs that have been found which can completely cure diabetes. One of the possible steps to treat diabetes mellitus is by inhibiting the growth of Diacylglycerol Acyltransferase-1 (DGAT-1) enzyme. This study aims to build a QSAR model on DGAT-1 inhibitors as anti-diabetic using Particle Swarm Optimization (PSO) and Support Vector Machine (SVM). Acyl-CoA: DGAT1 is a mikrosomal enzyme in lipogenesis which is increased in metabolically active cells to meet nutrient requirements. Microsomal-enzymes-that have an-important in the triglyceride-synthesis process-of 1,2-diacylglycerol by-catalyzing-acyl-coa-dependent-acylations as anti-diabetics. The dataset used in this study consists of 228 samples containing molecular structures and their inhibitor activities. We reduce the number of features by removing features with a standard deviation less than the threshold value, followed by the PSO algorithm. The best-predicted result is obtained through the implementation of SVM with RBF kernel, with the score of and  are 0.75 and 0.67, respectively.http://jurnal.iaii.or.id/index.php/RESTI/article/view/4294diabetesdiacylglycerol acyltransferase-1particle swarm optimizationqsarsupport vector machine
spellingShingle I Kadek Andrean Pramana Putra Pramana
Reza Rendian Septiawan
Isman Kurniawan
QSAR Study on Diacylgycerol Acyltransferase-1 (DGAT-1) Inhibitor as Anti-diabetic using PSO-SVM Methods
Jurnal RESTI (Rekayasa Sistem dan Teknologi Informasi)
diabetes
diacylglycerol acyltransferase-1
particle swarm optimization
qsar
support vector machine
title QSAR Study on Diacylgycerol Acyltransferase-1 (DGAT-1) Inhibitor as Anti-diabetic using PSO-SVM Methods
title_full QSAR Study on Diacylgycerol Acyltransferase-1 (DGAT-1) Inhibitor as Anti-diabetic using PSO-SVM Methods
title_fullStr QSAR Study on Diacylgycerol Acyltransferase-1 (DGAT-1) Inhibitor as Anti-diabetic using PSO-SVM Methods
title_full_unstemmed QSAR Study on Diacylgycerol Acyltransferase-1 (DGAT-1) Inhibitor as Anti-diabetic using PSO-SVM Methods
title_short QSAR Study on Diacylgycerol Acyltransferase-1 (DGAT-1) Inhibitor as Anti-diabetic using PSO-SVM Methods
title_sort qsar study on diacylgycerol acyltransferase 1 dgat 1 inhibitor as anti diabetic using pso svm methods
topic diabetes
diacylglycerol acyltransferase-1
particle swarm optimization
qsar
support vector machine
url http://jurnal.iaii.or.id/index.php/RESTI/article/view/4294
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AT rezarendianseptiawan qsarstudyondiacylgycerolacyltransferase1dgat1inhibitorasantidiabeticusingpsosvmmethods
AT ismankurniawan qsarstudyondiacylgycerolacyltransferase1dgat1inhibitorasantidiabeticusingpsosvmmethods