Academic Journal
Tandem 3D-QSARs approach as a valuable tool to predict binding affinity data: Design of new Gly/NMDA receptor antagonists as a key study
| العنوان: | Tandem 3D-QSARs approach as a valuable tool to predict binding affinity data: Design of new Gly/NMDA receptor antagonists as a key study |
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| المؤلفون: | BACILIERI, MAGDALENA, DEFLORIAN, FRANCESCA, MORO, STEFANO, Varano, F., Marini, M., Catarzi, D., Colotta, V., Filacchioni, G., Galli, A., Costagli, C., Kaseda, C. |
| المساهمون: | Bacilieri, Magdalena, Varano, F., Deflorian, Francesca, Marini, M., Catarzi, D., Colotta, V., Filacchioni, G., Galli, A., Costagli, C., Kaseda, C., Moro, Stefano |
| سنة النشر: | 2007 |
| المجموعة: | Padua Research Archive (IRIS - Università degli Studi di Padova) |
| مصطلحات موضوعية: | Algorithm, Artificial Intelligence, Computational Biology, Computer Simulation, Drug Design, Electrochemistry, Excitatory Amino Acid Antagonist, Indicators and Reagent, Least-Squares Analysi, Linear Model, Magnetic Resonance Spectroscopy, Models, Chemical, Molecular, Statistical, Nonlinear Dynamic, Quantitative Structure-Activity Relationship, Receptors, N-Methyl-D-Aspartate, Chemistry (all), Computational Theory and Mathematic, Information System, Chemical Engineering (all), Library and Information Sciences |
| الوصف: | Quantitative structure - activity relationships (QSARs) represent a very well consolidated computational approach to correlate structural or property descriptors of chemical compounds with their chemical or biological activities. We have recently reported that autocorrelation Molecular Electrostatic Potential (autoMEP) vectors in combination to Partial Least-Square (PLS) analysis or to Response Surface Analysis (RSA) can represent an interesting alternative 3D-QSAR strategy. In the present paper, we would like to present how the applicability of in tandem linear and nonlinear 3D-QSAR methods (autoMEP/PLS&RSA) can help to predict binding affinity data of a new set of N-methyl-D-aspartate (Gly/NMDA) receptor antagonists. |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | STAMPA |
| اللغة: | English |
| Relation: | info:eu-repo/semantics/altIdentifier/pmid/17722877; info:eu-repo/semantics/altIdentifier/wos/WOS:000249697600019; volume:47; issue:5; firstpage:1913; lastpage:1922; numberofpages:10; journal:JOURNAL OF CHEMICAL INFORMATION AND MODELING; http://hdl.handle.net/11577/3227822; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-35248896332 |
| DOI: | 10.1021/ci7001846 |
| الاتاحة: | http://hdl.handle.net/11577/3227822 https://doi.org/10.1021/ci7001846 |
| رقم الانضمام: | edsbas.7BE7217B |
| قاعدة البيانات: | BASE |
| DOI: | 10.1021/ci7001846 |
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