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Pharmacophore elucidation for a new series of 2-aryl-pyrazolo-triazolo-pyrimidines as potent human A3 adenosine receptor antagonists
Authors:Cheong Siew Lee  Federico Stephanie  Venkatesan Gopalakrishnan  Paira Priyankar  Shao Yi-Ming  Spalluto Giampiero  Yap Chun Wei  Pastorin Giorgia
Affiliation:a Department of Pharmacy, National University of Singapore, 3 Science Drive 2, Block S15, #05-PI-03, Singapore 117543, Singapore
b Dipartimento di Scienze Farmaceutiche, Università degli Studi di Trieste, Piazzale Europa 1, I-34127 Trieste, Italy
c Department of Pharmacy, National University of Singapore, 18 Science Drive 4, Block S7, #02-06, Singapore 117543, Singapore
Abstract:
Keywords:CoMFA, comparative molecular field analysis   cAMP, cyclic adenosine monophosphate   ECL2, extracellular loop 2   GPCR, G protein-coupled receptor   hA3AR, human A3 adenosine receptor   MAPK, mitogen-activated protein kinase   MOE, molecular operating environment   PLS, partial-least-square   PQ, pyrazoloquinolines   PTP, pyrazolo-triazolo-pyrimidines   TBT, triazolobenzotriazinones   TM, transmembrane   TP, triazolopyrazinones   TQX, triazoloquinoxalinones
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