Qsar Study Of Flavone / Flavonol Analogues As The Antiradical Compounds Based On Hansch Analysis = Analisis QSAR Turunan Flavon / Flavonol Sebagai Senyawa Antiradikal Berdasarkan Analisis Hansch
ABSTRACT Quantitative Structure-Activity Relationship (QSAR) analysis of substituted flavone / flavonol compounds has been carried out by applyin9 Hansch Analysis using their physicochemical properties as the predictors. The properties i.e. log P. (log P)4, core-core interaction energy (Eint), volum...
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| Format: | Article |
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[Yogyakarta] : Universitas Gadjah Mada
2003
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| _version_ | 1826031256249303040 |
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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 substituted flavone / flavonol compounds has been carried out by applyin9 Hansch Analysis using their physicochemical properties as the predictors. The properties i.e. log P. (log P)4, core-core interaction energy (Eint), volume (V), molecular mass (M), dipole moment (p), heat of formation (1H°f), binding energy (Ed, total energy (ET), surface area (L), polarizability (a), molar refractivity (RM), hidration energy (EH), electronic energy (Eel) and isolated atomic energy (Eatis), were obtained on the basis of geometry optimization using PM3 semiempirical method. The QSAR analysis used antiradical activities (% A) as the dependent variable and has been done by applying multilinear regression technique. The result showed that QSAR equations i.e.
% A = 77.426 � 67.343 [log P] + 3.160 [(log P)2 + 67.884 [a] + 6.63x10-4 [Eint] � 5.280 [L] + 1.179 [V] + 0.447 [M] � 11.000 [p] + 0.093 + 3.433 [EH] � 3.44x10-3 IET.1
(n = 16 |
| first_indexed | 2024-03-13T18:35:35Z |
| format | Article |
| id | oai:generic.eprints.org:18300 |
| institution | Universiti Gadjah Mada |
| last_indexed | 2024-03-13T18:35:35Z |
| publishDate | 2003 |
| publisher | [Yogyakarta] : Universitas Gadjah Mada |
| record_format | dspace |
| spelling | oai:generic.eprints.org:183002014-06-18T00:30:51Z https://repository.ugm.ac.id/18300/ Qsar Study Of Flavone / Flavonol Analogues As The Antiradical Compounds Based On Hansch Analysis = Analisis QSAR Turunan Flavon / Flavonol Sebagai Senyawa Antiradikal Berdasarkan Analisis Hansch Perpustakaan UGM, i-lib Jurnal i-lib UGM ABSTRACT Quantitative Structure-Activity Relationship (QSAR) analysis of substituted flavone / flavonol compounds has been carried out by applyin9 Hansch Analysis using their physicochemical properties as the predictors. The properties i.e. log P. (log P)4, core-core interaction energy (Eint), volume (V), molecular mass (M), dipole moment (p), heat of formation (1H°f), binding energy (Ed, total energy (ET), surface area (L), polarizability (a), molar refractivity (RM), hidration energy (EH), electronic energy (Eel) and isolated atomic energy (Eatis), were obtained on the basis of geometry optimization using PM3 semiempirical method. The QSAR analysis used antiradical activities (% A) as the dependent variable and has been done by applying multilinear regression technique. The result showed that QSAR equations i.e. % A = 77.426 � 67.343 [log P] + 3.160 [(log P)2 + 67.884 [a] + 6.63x10-4 [Eint] � 5.280 [L] + 1.179 [V] + 0.447 [M] � 11.000 [p] + 0.093 + 3.433 [EH] � 3.44x10-3 IET.1 (n = 16 [Yogyakarta] : Universitas Gadjah Mada 2003 Article NonPeerReviewed Perpustakaan UGM, i-lib (2003) Qsar Study Of Flavone / Flavonol Analogues As The Antiradical Compounds Based On Hansch Analysis = Analisis QSAR Turunan Flavon / Flavonol Sebagai Senyawa Antiradikal Berdasarkan Analisis Hansch. Jurnal i-lib UGM. http://i-lib.ugm.ac.id/jurnal/download.php?dataId=1081 |
| spellingShingle | Jurnal i-lib UGM Perpustakaan UGM, i-lib Qsar Study Of Flavone / Flavonol Analogues As The Antiradical Compounds Based On Hansch Analysis = Analisis QSAR Turunan Flavon / Flavonol Sebagai Senyawa Antiradikal Berdasarkan Analisis Hansch |
| title | Qsar Study Of Flavone / Flavonol Analogues As The Antiradical Compounds Based On Hansch Analysis = Analisis QSAR Turunan Flavon / Flavonol Sebagai Senyawa Antiradikal Berdasarkan Analisis Hansch |
| title_full | Qsar Study Of Flavone / Flavonol Analogues As The Antiradical Compounds Based On Hansch Analysis = Analisis QSAR Turunan Flavon / Flavonol Sebagai Senyawa Antiradikal Berdasarkan Analisis Hansch |
| title_fullStr | Qsar Study Of Flavone / Flavonol Analogues As The Antiradical Compounds Based On Hansch Analysis = Analisis QSAR Turunan Flavon / Flavonol Sebagai Senyawa Antiradikal Berdasarkan Analisis Hansch |
| title_full_unstemmed | Qsar Study Of Flavone / Flavonol Analogues As The Antiradical Compounds Based On Hansch Analysis = Analisis QSAR Turunan Flavon / Flavonol Sebagai Senyawa Antiradikal Berdasarkan Analisis Hansch |
| title_short | Qsar Study Of Flavone / Flavonol Analogues As The Antiradical Compounds Based On Hansch Analysis = Analisis QSAR Turunan Flavon / Flavonol Sebagai Senyawa Antiradikal Berdasarkan Analisis Hansch |
| title_sort | qsar study of flavone flavonol analogues as the antiradical compounds based on hansch analysis analisis qsar turunan flavon flavonol sebagai senyawa antiradikal berdasarkan analisis hansch |
| topic | Jurnal i-lib UGM |
| work_keys_str_mv | AT perpustakaanugmilib qsarstudyofflavoneflavonolanaloguesastheantiradicalcompoundsbasedonhanschanalysisanalisisqsarturunanflavonflavonolsebagaisenyawaantiradikalberdasarkananalisishansch |