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|The pyrazole scaffold in drug development. A target profile analysis
|Niţulescu G.M., Nedelcu G., Buzescu A., Velescu B.Ș, Olaru O.T.
|The study investigates the pyrazole ring as a scaffold in drug development, focusing on identifying its privileged biological targets. Molecular descriptors distributions were used for characterizing the pharmacologically active pyrazole derivatives in order to provide rule of thumb for design of new drug like pyrazoles. The analysis of the biological interaction profiles demonstrated a class-selectivity of these compounds toward protein kinases involved in cancer pathology, highlighting the importance of the pyrazole moiety in the development of new antitumor drugs. Several other targets with implications in different pathologies were revealed. Our study indicates the pyrazole ring as an attractive framework for drug discovery, pyrazole-based derivatives being capable of serving as ligands for a diverse array of molecular substrates, depending on the varying substituents.
|privileged scaffolds, target affinity patterns, database mining, adenosine bioisoster, virtual screening
|Anca Buzescu , Carol Davila” University of Medicine and Pharmacy, Traian Vuia 6, Bucharest 020956, Romania E-mail: email@example.com