Kishore Kumar Valluri, Tejeswara Rao Allaka, IV Kasi Viswanath* and Nagaraju PVVS Pages 1 - 13 ( 13 )
Background: Many pyrazole piperazine derivatives are known to exhibit a wide range, attracted 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, anticancer agents to address this serious health problem.
Methods: A series of new compounds containing pyrazole ring linked to a piperazine hydrochloride moiety were synthesized and screened for their antibacterial, cytotoxicity of novel scaffolds are described by variation in therapeutic effects of parent molecule. The structure variants were characterized by using blend of spectroscopic 1H NMR, 13C NMR, IR, Mass and chromatographic techniques.
Results: When tested for invitro antibacterial, 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 three medically relevant organisms; Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Klebsiella Species compared to CPF. In present investigation, cheminfomatics tools Molinspiration, 2003 and MolSoft, 2007 for 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.
Antibacterial activity, anticancer activity, pyrazole, Molinspiration, MolSoft, XRD studies
Department of Chemistry, Koneru Laxmaiah Education Foundation Vaddeswaram, Guntur-522502, Andhra Pradesh, Centre for Chemical Sciences and Technology, Institute of Science and Technology, Jawaharlal Nehru Technological University Hyderabad, Kukatpally, Hyderabad-500 085, Telangana, Department of Chemistry, Koneru Laxmaiah Education Foundation Vaddeswaram, Guntur-522502, Andhra Pradesh, Department of Chemistry, Koneru Laxmaiah Education Foundation Vaddeswaram, Guntur-522502, Andhra Pradesh