Structure-based identification and characterisation of structurally novel human P2X7 receptor antagonists
نویسندگان
چکیده
منابع مشابه
Structure-based identification and characterisation of structurally novel human P2X7 receptor antagonists
The P2X7 receptor (P2X7R) plays an important role in diverse conditions associated with tissue damage and inflammation, meaning that the human P2X7R (hP2X7R) is an attractive therapeutic target. The crystal structures of the zebrafish P2X4R in the closed and ATP-bound open states provide an unprecedented opportunity for structure-guided identification of new ligands. The present study performed...
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Quantitative structure-activity relationship (QSAR) models were employed for prediction the activity of P2X7 receptor antagonists. A data set consisted of 50 purine derivatives was utilized in the model construction where 40 and 10 of these compounds were in the training and test sets respectively. A suitable group of calculated molecular descriptors was selected by employing stepwise multiple ...
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متن کاملqsar studies and application of genetic algorithm - multiple linear regressions in prediction of novel p2x7 receptor antagonists’ activity
quantitative structure-activity relationship (qsar) models were employed for prediction the activity of p2x7 receptor antagonists. a data set consisted of 50 purine derivatives was utilized in the model construction where 40 and 10 of these compounds were in the training and test sets respectively. a suitable group of calculated molecular descriptors was selected by employing stepwise multiple ...
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ژورنال
عنوان ژورنال: Biochemical Pharmacology
سال: 2016
ISSN: 0006-2952
DOI: 10.1016/j.bcp.2016.07.020