Background:
Many pyrazole piperazine derivatives are known to exhibit a wide range, thus
being attractive for the drug design and synthesis of interesting class of widely studied heterocyclic
compounds. It is therefore necessary to devote continuing effort for the identification and development
of New Chemical Entities (NCEs) as potential antibacterial and anticancer agents to address serious
health problems.
Methods:
A series of new compounds containing pyrazole ring linked to a piperazine hydrochloride
moiety were synthesized and screened for their antibacterial activity, cytotoxicity of novel scaffolds are
described by variation in therapeutic effects of parent molecule. The structure variants were characterized
by using a blend of spectroscopic 1H NMR, 13C NMR, IR, Mass and chromatographic techniques.
Results:
When tested for in vitro antibacterial and anticancer activities, several of these compounds
showed good activities. The target compounds 9b, 9a and 9e exhibited a high degree of anticancer activity
against human colon cancer cell line Caco-2 and human breast cancer cell line MDAMB231. Further,
9a, 9b, 9d, and 9h showed better activity towards four medically relevant organisms;
Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Klebsiella Species compared to CPF. In
the present investigation, cheminfomatics tools Molinspiration, 2003 and MolSoft, 2007 for the
prediction of insilico molecular properties and drug likeness for the target compounds 9a-h was
evaluated and positive results were observed.
Conclusion:
Our study revealed that the molecular framework presented here could be a useful template
for the identification of novel small molecules as promising antibacterial/ anticancer agents.
Crystal structure of (Z)-1-(3,4-dichlorophenyl)-3-methyl-4-[(naphthalen-1-ylamino)(p-tolyl)methylidene]-1H-pyrazol-5(4H)-one
