Artikel ; Online: Computer-Aided Strategy on 5-(Substituted benzylidene) Thiazolidine-2,4-Diones to Develop New and Potent PTP1B Inhibitors: QSAR Modeling, Molecular Docking, Molecular Dynamics, PASS Predictions, and DFT Investigations.
Molecules (Basel, Switzerland)
2024 Band 29, Heft 4
Abstract: A set of 5-(substituted benzylidene) thiazolidine-2,4-dione derivatives was explored to study the main structural requirement for the design of protein tyrosine phosphatase 1B (PTP1B) inhibitors. Utilizing multiple linear regression (MLR) analysis, we ... ...
Abstract | A set of 5-(substituted benzylidene) thiazolidine-2,4-dione derivatives was explored to study the main structural requirement for the design of protein tyrosine phosphatase 1B (PTP1B) inhibitors. Utilizing multiple linear regression (MLR) analysis, we constructed a robust quantitative structure-activity relationship (QSAR) model to predict inhibitory activity, resulting in a noteworthy correlation coefficient (R |
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Mesh-Begriff(e) | Humans ; Molecular Docking Simulation ; Quantitative Structure-Activity Relationship ; Thiazolidines/pharmacology ; Thiazolidines/chemistry ; Reproducibility of Results ; Molecular Dynamics Simulation ; Enzyme Inhibitors/chemistry ; Diabetes Mellitus/drug therapy |
Chemische Substanzen | Thiazolidines ; Enzyme Inhibitors |
Sprache | Englisch |
Erscheinungsdatum | 2024-02-10 |
Erscheinungsland | Switzerland |
Dokumenttyp | Journal Article |
ZDB-ID | 1413402-0 |
ISSN | 1420-3049 ; 1431-5165 ; 1420-3049 |
ISSN (online) | 1420-3049 |
ISSN | 1431-5165 ; 1420-3049 |
DOI | 10.3390/molecules29040822 |
Datenquelle | MEDical Literature Analysis and Retrieval System OnLINE |
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Verfügbar in ZB MED Köln/Königswinter
Zs.MO 81: Hefte anzeigen |
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