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|Title:||DESIGN, SYNTHESIS, PHARMACOLOGICAL AND MOLECULAR MODELING EVALUATION OF NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AS HUMAN A3 ADENOSINE RECEPTOR ANTAGONISTS||Authors:||GOPALAKRISHNAN VENKATESAN||Keywords:||Adenosine, antagonist, molecular docking, QSAR, pyrazolopyrimidine||Issue Date:||22-Aug-2013||Citation:||GOPALAKRISHNAN VENKATESAN (2013-08-22). DESIGN, SYNTHESIS, PHARMACOLOGICAL AND MOLECULAR MODELING EVALUATION OF NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AS HUMAN A3 ADENOSINE RECEPTOR ANTAGONISTS. ScholarBank@NUS Repository.||Abstract:||Adenosine is an endogenous nucleoside that mediates a wide range of physiological responses through interaction with speci¿c adenosine receptors (ARs),which are G-protein coupled receptors (GPCRs) comprising the characteristics seven transmembrane domains connected by three extracellular and three intracellular loops. There are four basic types of ARs that have been cloned and pharmacologically characterized, namely, A1, A2A, A2B, and A3 ARs In this thesis two libraries of pyrazolo pyrimidine analogues comprising of 62 compounds were synthesized and evaluated for their binding affinity at hA3AR subtype through relevant pharmacological assays. In summary, the molecular simplification of PTP ligands and further ligand modification of 4-chloro-pyrazolopyrimidines to pyrazolo[3,4-d]pyrimidine-4-carboxylates have given rise to a new class of potent and selective hA3AR antagonists. Molecular modeling evaluation employed in our study has provided new perspectives on the structural features and binding interactions responsible for the hA3AR affinity of new PP derivatives.||URI:||http://scholarbank.nus.edu.sg/handle/10635/49398|
|Appears in Collections:||Ph.D Theses (Open)|
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