rational design, synthesis and computational structure-activity relationship of novel 3-(4-chlorophenyl)-5-(3-hydroxy-4-ethoxyphenyl)-4,5-dihydro-1h-pyrazole-1-carboxamide

نویسندگان

yogendra singh

arvind tomar

ratnesh das

ram singh

چکیده

densely functionalized 3-(4-chlorophenyl)-5-(3-hydroxy-4-etoxyphenyl)-4,5-dihydro-1h-pyrazole-1-carboxamide 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-1-carboxamide 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.

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عنوان ژورنال:
iranian journal of biotechnology

ناشر: national institute of genetic engineering and biotechnology

ISSN 1728-3043

دوره 7

شماره 3 2009

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