Design, synthesis, molecular docking and cytotoxic activity evaluations of novel piperidine and piperazine derivatives of dichloroacetate as potential anticancer agents
By: Manouchehrizadeh, Elham
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Contributor(s): Mostoufi, Azar.
Publisher: New Delhi CSIR 2019Edition: Vol.58B(11), Nov.Description: 1273-1278p.Subject(s): GENERAL CHEMISTRYOnline resources: Click here
In:
Indian journal of chemistry (Section B)Summary: Dichloroacetate (DCA) as a small and active anticancer agent through inhibition of pyruvate dehydrogenase kinases (PDKs), prevents proliferation of tumor growth. In this research, a series of novel piperidine and piperazine derivatives of DCA have been designed and subjected to molecular docking studies. Based on the docking results,nine compounds with the lowest binding energy and better interaction with PDKs isoenzymes have been selected and synthesized. The cytotoxic activities of the synthesized compounds havebeen evaluated against HT-29 and MCF7 human cancer cell lines. These compounds show moderate potencies with much higher anticancer activity than DCA. The most active of the series, f1, showed IC50value of 7.79 μM against HT-29 cell line.
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School of Pharmacy Archieval Section | Not for loan | 2020813 |
Dichloroacetate (DCA) as a small and active anticancer agent through inhibition of pyruvate dehydrogenase kinases (PDKs), prevents proliferation of tumor growth. In this research, a series of novel piperidine and piperazine derivatives of DCA have been designed and subjected to molecular docking studies. Based on the docking results,nine compounds with the lowest binding energy and better interaction with PDKs isoenzymes have been selected and synthesized. The cytotoxic activities of the synthesized compounds havebeen evaluated against HT-29 and MCF7 human cancer cell lines. These compounds show moderate potencies with much higher anticancer activity than DCA. The most active of the series, f1, showed IC50value of 7.79 μM against HT-29 cell line.
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