Qsar Study Of 1,10-Phenanthroline Derivatives As The Antimalarial Compounds Using Electronic Descriptors Based On Semiempirical Am1 Calculation = Kajian QSAR Senyawa Antimalaria Turunan 1,10-Fenantrolin Menggunakan..
| Main Author: | Perpustakaan UGM, i-lib |
|---|---|
| Format: | Article NonPeerReviewed |
| Terbitan: |
[Yogyakarta] : Universitas Gadjah Mada
, 2002
|
| Subjects: | |
| Online Access: |
https://repository.ugm.ac.id/17811/ http://i-lib.ugm.ac.id/jurnal/download.php?dataId=579 |
| ctrlnum |
17811 |
|---|---|
| fullrecord |
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<dc schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd"><relation>https://repository.ugm.ac.id/17811/</relation><title>Qsar Study Of 1,10-Phenanthroline Derivatives As The Antimalarial Compounds Using Electronic Descriptors Based On Semiempirical Am1 Calculation = Kajian QSAR Senyawa Antimalaria Turunan 1,10-Fenantrolin Menggunakan...</title><creator>Perpustakaan UGM, i-lib</creator><subject>Jurnal i-lib UGM</subject><description>ABSTRACT
Quantitative Structure-Activity Relationship (QSAR) analysis of 1,10-phenantroline analogs as antimalarial drug has been conducted using atomic net charges (q) as predictors of their activity. Data of predictors are obtained from computational chemistry method using semi-empirical molecular orbital AM1 calculation. Antimalarial activities are taken as the activity of the drugs against plasmodium falciparum (FcM29-Cameroun) strain and are presented as the value of In(1/1050) where /C50 is an effective concentration inhibiting 50 % of the parasite growth. The results show that there is correlation between antiplasmodial activity and electronic structure as represented by a linear function of activity versus atomic net charges of N1, C7, C10, C14 atoms on the 1,10-phenanthroline skeleton and is expressed by :
log IC50 = -3,4398 � 14,9050 qAli � 8,5589 qCio � 14,7565 qC7 + 5,0457 qCii
The equation is significant at 95% level with statistical parameters : n = 13</description><publisher>[Yogyakarta] : Universitas Gadjah Mada</publisher><date>2002</date><type>Journal:Article</type><type>PeerReview:NonPeerReviewed</type><identifier> Perpustakaan UGM, i-lib (2002) Qsar Study Of 1,10-Phenanthroline Derivatives As The Antimalarial Compounds Using Electronic Descriptors Based On Semiempirical Am1 Calculation = Kajian QSAR Senyawa Antimalaria Turunan 1,10-Fenantrolin Menggunakan... Jurnal i-lib UGM. </identifier><relation>http://i-lib.ugm.ac.id/jurnal/download.php?dataId=579</relation><recordID>17811</recordID></dc>
|
| format |
Journal:Article Journal PeerReview:NonPeerReviewed PeerReview |
| author |
Perpustakaan UGM, i-lib |
| title |
Qsar Study Of 1,10-Phenanthroline Derivatives As The Antimalarial Compounds Using Electronic Descriptors Based On Semiempirical Am1 Calculation = Kajian QSAR Senyawa Antimalaria Turunan 1,10-Fenantrolin Menggunakan.. |
| publisher |
[Yogyakarta] : Universitas Gadjah Mada |
| publishDate |
2002 |
| topic |
Jurnal i-lib UGM |
| url |
https://repository.ugm.ac.id/17811/ http://i-lib.ugm.ac.id/jurnal/download.php?dataId=579 |
| contents |
ABSTRACT
Quantitative Structure-Activity Relationship (QSAR) analysis of 1,10-phenantroline analogs as antimalarial drug has been conducted using atomic net charges (q) as predictors of their activity. Data of predictors are obtained from computational chemistry method using semi-empirical molecular orbital AM1 calculation. Antimalarial activities are taken as the activity of the drugs against plasmodium falciparum (FcM29-Cameroun) strain and are presented as the value of In(1/1050) where /C50 is an effective concentration inhibiting 50 % of the parasite growth. The results show that there is correlation between antiplasmodial activity and electronic structure as represented by a linear function of activity versus atomic net charges of N1, C7, C10, C14 atoms on the 1,10-phenanthroline skeleton and is expressed by :
log IC50 = -3,4398 � 14,9050 qAli � 8,5589 qCio � 14,7565 qC7 + 5,0457 qCii
The equation is significant at 95% level with statistical parameters : n = 13 |
| id |
IOS2744.17811 |
| institution |
Universitas Gadjah Mada |
| institution_id |
19 |
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library:university library |
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Perpustakaan Pusat Universitas Gadjah Mada |
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488 |
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UGM Repository |
| repository_id |
2744 |
| subject_area |
Karya Umum |
| city |
SLEMAN |
| province |
DAERAH ISTIMEWA YOGYAKARTA |
| repoId |
IOS2744 |
| first_indexed |
2016-09-14T18:05:22Z |
| last_indexed |
2016-09-22T21:18:39Z |
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dc |
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1765815333195612160 |
| score |
17.538404 |