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...
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...
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| Format: | Article |
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[Yogyakarta] : Universitas Gadjah Mada
2002
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| _version_ | 1826031159805476864 |
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| author | Perpustakaan UGM, i-lib |
| author_facet | Perpustakaan UGM, i-lib |
| author_sort | Perpustakaan UGM, i-lib |
| collection | UGM |
| 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 |
| first_indexed | 2024-03-05T22:52:45Z |
| format | Article |
| id | oai:generic.eprints.org:17811 |
| institution | Universiti Gadjah Mada |
| last_indexed | 2024-03-13T18:34:02Z |
| publishDate | 2002 |
| publisher | [Yogyakarta] : Universitas Gadjah Mada |
| record_format | dspace |
| spelling | oai:generic.eprints.org:178112014-06-18T00:32:10Z https://repository.ugm.ac.id/17811/ 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... Perpustakaan UGM, i-lib Jurnal i-lib UGM 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 [Yogyakarta] : Universitas Gadjah Mada 2002 Article NonPeerReviewed 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. http://i-lib.ugm.ac.id/jurnal/download.php?dataId=579 |
| spellingShingle | Jurnal i-lib UGM Perpustakaan UGM, i-lib 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 | 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_full | 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_fullStr | 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_full_unstemmed | 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_short | 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_sort | 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 |
| topic | Jurnal i-lib UGM |
| work_keys_str_mv | AT perpustakaanugmilib qsarstudyof110phenanthrolinederivativesastheantimalarialcompoundsusingelectronicdescriptorsbasedonsemiempiricalam1calculationkajianqsarsenyawaantimalariaturunan110fenantrolinmenggunakan |