380) We termed this method as pharmacophore-similarity-based QSAR (PS-QSAR) and studied the activity contribution of fragments from 3-hydroxypyridinones derivatives possessing antimalarial activities. |
PMID:24266725 DOI:10.1080/07391102.2013.849618 |
2015 Journal of biomolecular structure & dynamics |
* Pharmacophore-similarity-based QSAR (PS-QSAR) for group-specific biological activity predictions. |
- Recent technological breakthroughs in medicinal chemistry arena had ameliorated the perspectives of quantitative structure-activity relationship (QSAR) methods. In this direction, we developed a group-based QSAR method based on pharmacophore-similarity concept which takes into account the 2D topological pharmacophoric descriptors and predicts the group-specific biological activities. This activity prediction may assist the contribution of certain pharmacophore features encoded by respective fragments toward activity improvement and/or detrimental effects. We termed this method as pharmacophore-similarity-based QSAR (PS-QSAR) and studied the activity contribution of fragments from 3-hydroxypyridinones derivatives possessing antimalarial activities. |
(1)81 *null* | (12)7 ![]() |
(23)2 ![]() |
(34)2 ![]() |
(2)59 ![]() |
(13)6 ![]() |
(24)2 ![]() |
(35)2 ![]() |
(3)39 ![]() |
(14)5 ![]() |
(25)2 ![]() |
(36)2 ![]() |
(4)39 ![]() |
(15)5 ![]() |
(26)2 ![]() |
(37)2 ![]() |
(5)37 ![]() |
(16)4 ![]() |
(27)2 ![]() |
(38)2 ![]() |
(6)26 ![]() |
(17)4 ![]() |
(28)2 ![]() |
(39)2 ![]() |
(7)24 ![]() |
(18)3 ![]() |
(29)2 ![]() |
(40)2 ![]() |
(8)15 ![]() |
(19)3 ![]() |
(30)2 ![]() |
(41)2 ![]() |
(9)9 ![]() |
(20)3 ![]() |
(31)2 ![]() |
|
(10)8 ![]() |
(21)2 ![]() |
(32)2 ![]() |
|
(11)7 ![]() |
(22)2 ![]() |
(33)2 ![]() |
add keyword