In vitro antiplasmodial activity of1,1 0-phenanthroline derivatives and its quantitative structure-activity relationship
ABSTRACT Mustofa, Ange Desire Yapi, Alexis Valentin, lqmal Tahir - In vitro antiplasmodial activity of 1,10- phenanthroline derivatives and its quantitative structure-activity relationship Background: Previous study showed that 1,10-phenanthroline skeleton were active in vitro on both Plasmodium fal...
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| Format: | Article |
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[Yogyakarta] : Universitas Gadjah Mada
2003
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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
Mustofa, Ange Desire Yapi, Alexis Valentin, lqmal Tahir - In vitro antiplasmodial activity of 1,10- phenanthroline derivatives and its quantitative structure-activity relationship
Background: Previous study showed that 1,10-phenanthroline skeleton were active in vitro on both Plasmodium falciparum chloroquine-resistant and -sensitive strains. Based on the skeleton, a series of 1,10-phenanthroline derivatives have been synthesized. However the antiplasmodial activity of those molecules has not been reported.
Objective: To know the in vitro antiplasmodial activity of thirteen 1,10-phenantroline derivatives and its quantitative structure-activity relationship.
Methods: The in vitro antiplasmodial activity was tested on two strains of Plasmodium falciparum, FcB1Columbia (chloroquine-resistant strain) and a Nigerian (chloroquine-sensitive strain) using a radioactive micromethod. The parasite growth was estimated by [3H1-hipoxanthine incorporation after 24 and 48 hours incubation with each molecule tested. The control parasite free from any molecules was referred to as 100% growth. For this radioactive method IC5o value showing concentration inhibiting 50% of the parasite was determined graphically in concentration versus percent inhibition curves. The quantitative structure-activity relationships (QSAR) of 1,10-phenanthroline derivatives were investigated using atomic net charges as predictors of their activity. Data of predictors were obtained using semi-empirical Austin Model 1 (AM1) calculation method. The possible linear relationships of in vitro antiplasmodial activity with atomic net charge parameters of those compounds were studied. The best model QSAR was evaluated by multiple linear regression method.
Results: The results showed that the IC5o values of 1,10-phenanthroline derivatives range from 0.02 to 11.05 uM for the FcB1 strain and from 0.14 to 19.84 pM for the Nigerian strain. The molecure (4), 2,10- methy1-3-12-chloroethyl)-4-chloropirydo [2,3-i] quinolineium iodide exhibited the best in vitro antiplasmodial activity with an IC50 value ranging 0.02 to 0.16 1.1M. The best model QSAR was expressed by log IC5o = -3.4398 - 14.9050 qN1 - 8.5589 qC10 - 14.7565 qC7 + 5.0457 qC11 (n = 13 |
| first_indexed | 2024-03-05T22:54:56Z |
| format | Article |
| id | oai:generic.eprints.org:19141 |
| institution | Universiti Gadjah Mada |
| last_indexed | 2024-03-13T18:36:56Z |
| publishDate | 2003 |
| publisher | [Yogyakarta] : Universitas Gadjah Mada |
| record_format | dspace |
| spelling | oai:generic.eprints.org:191412014-06-18T00:30:06Z https://repository.ugm.ac.id/19141/ In vitro antiplasmodial activity of1,1 0-phenanthroline derivatives and its quantitative structure-activity relationship Perpustakaan UGM, i-lib Jurnal i-lib UGM ABSTRACT Mustofa, Ange Desire Yapi, Alexis Valentin, lqmal Tahir - In vitro antiplasmodial activity of 1,10- phenanthroline derivatives and its quantitative structure-activity relationship Background: Previous study showed that 1,10-phenanthroline skeleton were active in vitro on both Plasmodium falciparum chloroquine-resistant and -sensitive strains. Based on the skeleton, a series of 1,10-phenanthroline derivatives have been synthesized. However the antiplasmodial activity of those molecules has not been reported. Objective: To know the in vitro antiplasmodial activity of thirteen 1,10-phenantroline derivatives and its quantitative structure-activity relationship. Methods: The in vitro antiplasmodial activity was tested on two strains of Plasmodium falciparum, FcB1Columbia (chloroquine-resistant strain) and a Nigerian (chloroquine-sensitive strain) using a radioactive micromethod. The parasite growth was estimated by [3H1-hipoxanthine incorporation after 24 and 48 hours incubation with each molecule tested. The control parasite free from any molecules was referred to as 100% growth. For this radioactive method IC5o value showing concentration inhibiting 50% of the parasite was determined graphically in concentration versus percent inhibition curves. The quantitative structure-activity relationships (QSAR) of 1,10-phenanthroline derivatives were investigated using atomic net charges as predictors of their activity. Data of predictors were obtained using semi-empirical Austin Model 1 (AM1) calculation method. The possible linear relationships of in vitro antiplasmodial activity with atomic net charge parameters of those compounds were studied. The best model QSAR was evaluated by multiple linear regression method. Results: The results showed that the IC5o values of 1,10-phenanthroline derivatives range from 0.02 to 11.05 uM for the FcB1 strain and from 0.14 to 19.84 pM for the Nigerian strain. The molecure (4), 2,10- methy1-3-12-chloroethyl)-4-chloropirydo [2,3-i] quinolineium iodide exhibited the best in vitro antiplasmodial activity with an IC50 value ranging 0.02 to 0.16 1.1M. The best model QSAR was expressed by log IC5o = -3.4398 - 14.9050 qN1 - 8.5589 qC10 - 14.7565 qC7 + 5.0457 qC11 (n = 13 [Yogyakarta] : Universitas Gadjah Mada 2003 Article NonPeerReviewed Perpustakaan UGM, i-lib (2003) In vitro antiplasmodial activity of1,1 0-phenanthroline derivatives and its quantitative structure-activity relationship. Jurnal i-lib UGM. http://i-lib.ugm.ac.id/jurnal/download.php?dataId=1967 |
| spellingShingle | Jurnal i-lib UGM Perpustakaan UGM, i-lib In vitro antiplasmodial activity of1,1 0-phenanthroline derivatives and its quantitative structure-activity relationship |
| title | In vitro antiplasmodial activity of1,1 0-phenanthroline derivatives and its quantitative structure-activity relationship |
| title_full | In vitro antiplasmodial activity of1,1 0-phenanthroline derivatives and its quantitative structure-activity relationship |
| title_fullStr | In vitro antiplasmodial activity of1,1 0-phenanthroline derivatives and its quantitative structure-activity relationship |
| title_full_unstemmed | In vitro antiplasmodial activity of1,1 0-phenanthroline derivatives and its quantitative structure-activity relationship |
| title_short | In vitro antiplasmodial activity of1,1 0-phenanthroline derivatives and its quantitative structure-activity relationship |
| title_sort | in vitro antiplasmodial activity of1 1 0 phenanthroline derivatives and its quantitative structure activity relationship |
| topic | Jurnal i-lib UGM |
| work_keys_str_mv | AT perpustakaanugmilib invitroantiplasmodialactivityof110phenanthrolinederivativesanditsquantitativestructureactivityrelationship |