Y. Singh, A. Tomar, R. Das
Jul 1, 2009
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Influential Citations
2
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Journal
Iranian Journal of Biotechnology
Abstract
Densely functionalized 3-(4-chlorophenyl)-5-(3hydroxy-4-etoxyphenyl)-4,5-dihydro-1H-pyrazole-1carboxamide was synthesized in an expedient manner through specification and transamidation respectively, of ester-functionalized pyrazoles. This synthetic protocol allowed for three diversifying steps in which appendages on the pyrazole scaffold were adjusted to optimize inhibition of protein kinases. Computational design and study of novel 3-(4-chlorophenyl)-5(3hydroxy-4-etoxyphenyl)-4,5-dihydro-1H-pyrazole-1carboxamide is reported. This computational prediction analysis will improve the understanding of candidate drugs and help in identifying its properties and effects on the human body. Simulation analysis of candidate drugs is necessary for providing clues about regulatory mechanisms, biochemical pathways and broader drug functions.