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Desain Senyawa Turunan Karbamat Sebagai Insektisida Baru Menggunakan Metoda In Silico

Elkawnie · Vol. 3 No. 1 (2017) · pp. 21–34

DOI
10.22373/ekw.v3i1.1527
ISSN
2460-8912, 2460-8920
Published
2017-06-30
Publisher
Faculty of Science and Technology Universitas Islam Negeri Ar-Raniry
Language
eng

Abstract

Linear equation of QSAR model of insecticidal activity of carbamate derivatives based on atomic charge and hydrofobic, electronic and steric descriptors has been investigated. The descriptors were calculated by semiempirical PM3 method and biological activities of the compound were taken from experiment. The relationship between descriptors and their biological activities was analyzed with multilinear regression analysis.The best linier equation resulted from that analysis is: Log 1/LD 50 = 12,651 + (2,467 qC2) + (2,832 qC4) - (14,089 qC6) - (0,24 qO7) + (0,293 μ) - (0,08 SA (grid)) +(0,041 V)+ (0,141 EH) - (0,303 log P) n = 39; r = 0,839; adjusted r2 = 0,612; SE = 0,355; Fhit/Ftable = 3,443 PRESS=5,188 Based on that model, a new carbamate derivative has been designed which show better predicted activity (log 1/LD50 = 9,79) while the old one (log 1/LD50 = 8,81). This new carbamate insecticide derivative can be synthesized laboratoriccally for the next prove. Key Word:QSAR, Insecticides carbamate, PM3.

Collaboration network of the authors

36 authors · 97 co-authorship links

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Co-authorOrganisationJoint articles
Dwi SiswantaAffiliation unknown3
Anjar Purba AsmaraAffiliation unknown2
Dwiki Setyo NugrohoAffiliation unknown1
Dyke Gita WirasisyaAffiliation unknown1
Karna WijayaAffiliation unknown1
Fitra PerdanaAffiliation unknown1
Lalu Undrus Yusditia M. GAffiliation unknown1
Lalu Sanik Wahyu F. AAffiliation unknown1
Siti MaryamAffiliation unknown1
Triyono TriyonoAffiliation unknown1
Wega TrisunaryantiAffiliation unknown1
Abdullah AbdullohAffiliation unknown1
Nanik Siti AminahAffiliation unknown1
Didik Prasetyoko Didik PrasetyokoAffiliation unknown1
Bambang KuswandiAffiliation unknown1
Dhony HermantoAffiliation unknown1
Nurul IsmillayliAffiliation unknown1
Siti Alysha AstariAffiliation unknown1
Suherman SuhermanAffiliation unknown1
Khansa SalsabilaAffiliation unknown1
Uyi SulaemanAffiliation unknown1
Dadan HermawanAffiliation unknown1
AMIN FATONIAffiliation unknown1
Ponco IswantoAffiliation unknown1
Cacu CacuAffiliation unknown1
Suwandri SuwandriAffiliation unknown1
Hassan Y. Aboul-EneinAffiliation unknown1
Harno Dwi PranowoAffiliation unknown1
Niko PrasetyoAffiliation unknown1
Winarto HaryadiAffiliation unknown1
Nurul Hidayat AprilitaAffiliation unknown1
Miftakhul RomadhonaAffiliation unknown1
Dewi MurniatiAffiliation unknown1

Affiliations come from OpenAlex; journal OAI-PMH metadata carries none. Authors without an OpenAlex ID are matched by name, which can merge or split people.

Metadata source: OAI-PMH (metadata jurnal) https://jurnal.ar-raniry.ac.id/index.php/elkawnie/oai, first harvested 7 Nov 2026, last seen 8 Nov 2026.
Original metadata (oai_dc) 
<oai_dc:dc xmlns="http://www.openarchives.org/OAI/2.0/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/  http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
	<dc:title xml:lang="en">Desain Senyawa Turunan Karbamat Sebagai Insektisida Baru Menggunakan Metoda In Silico</dc:title>
	<dc:creator xml:lang="en">Ananto, Agus Dwi</dc:creator>
	<dc:creator xml:lang="en">Mudasir, Mudasir</dc:creator>
	<dc:creator xml:lang="en">Armunanto, Ria</dc:creator>
	<dc:description xml:lang="en">Linear equation of QSAR model of insecticidal activity of carbamate derivatives based on atomic charge and hydrofobic, electronic and steric descriptors has been investigated. The descriptors were calculated by semiempirical PM3 method and biological activities of the compound were taken from experiment. The relationship between descriptors and their biological activities was analyzed with multilinear regression analysis.The best linier equation resulted from that analysis is : Log 1/LD 50 = 12,651 + (2,467 qC2) + (2,832 qC4) - (14,089 qC6) - (0,24 qO7) + (0,293 μ) - (0,08 SA (grid)) +(0,041 V)+ (0,141 EH) - (0,303 log P) n = 39 ; r = 0,839 ; adjusted r2 = 0,612 ; SE = 0,355; Fhit/Ftable = 3,443 PRESS=5,188 Based on that model, a new carbamate derivative has been designed which show better predicted activity (log 1/LD50 = 9,79) while the old one (log 1/LD50 = 8,81). This new carbamate insecticide derivative can be synthesized laboratoriccally for the next prove. Key Word:QSAR, Insecticides carbamate, PM3.</dc:description>
	<dc:publisher xml:lang="en">Faculty of Science and Technology Universitas Islam Negeri Ar-Raniry</dc:publisher>
	<dc:date>2017-06-30</dc:date>
	<dc:type>info:eu-repo/semantics/article</dc:type>
	<dc:type>info:eu-repo/semantics/publishedVersion</dc:type>
	<dc:type xml:lang="en">Peer-reviewed Article</dc:type>
	<dc:format>application/pdf</dc:format>
	<dc:identifier>https://jurnal.ar-raniry.ac.id/index.php/elkawnie/article/view/1527</dc:identifier>
	<dc:identifier>10.22373/ekw.v3i1.1527</dc:identifier>
	<dc:source xml:lang="en">Elkawnie; Vol. 3 No. 1 (2017); 21-34</dc:source>
	<dc:source>2460-8912</dc:source>
	<dc:source>2460-8920</dc:source>
	<dc:language>eng</dc:language>
	<dc:relation>https://jurnal.ar-raniry.ac.id/index.php/elkawnie/article/view/1527/2005</dc:relation>
	<dc:rights xml:lang="en">Copyright (c) 2017 Author</dc:rights>
</oai_dc:dc>