Kishore K. Valluri, Tejeswara R. Allaka, IV Kasi Viswanath* and Nagaraju PVVS Pages 419 - 431 ( 13 )
Background:Many pyrazolepiperazine 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 containingpyrazole ring linked to a piperazine hydrochloride moiety were synthesized and screened for their antibacterial activity, cytotoxicity of novel scaffolds are described byvariation in therapeutic effects of parent molecule. The structure variants were character-ized by using a blend of spectroscopic 1H NMR, 13C NMR, IR, Mass and chromatographic techniques. Results:When tested for in vitroantibacterial and anticancer activities, several of these compounds showed good activities. The target compounds 9b, 9a and9eexhibited a high degree of anticancer activ-ity against human colon cancer cell line Caco-2 and human breast cancer cell line MDAMB231. Fur-ther, 9a, 9b, 9d,and 9hshowed better activity towards four medically relevant organisms; Staphylococcus aureus, Bacillus subtilis, Escherichia coliand Klebsiella Speciescompared 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-hwas 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.
Antibacterial activity, anticancer activity, pyrazole, Molinspiration, MolSoft, XRD studies
Department of Chemistry, Koneru LaxmaiahEducation Foundation Vaddeswaram, Guntur-522502, Andhra Pradesh, Centre for Chemical Sciences and Technology, Institute of Science and Technology, Jawaharlal Nehru Techno-logical University Hyderabad, Kukatpally, Hyderabad-500 085, Telangana, Department of Chemistry, Koneru Laxmaiah Education Foundation Vaddeswaram, Guntur-522502, Andhra Pradesh, Department of Chemistry, Koneru LaxmaiahEducation Foundation Vaddeswaram, Guntur-522502, Andhra Pradesh