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Ars Pharmaceutica (Internet)

On-line version ISSN 2340-9894


BHOLE, Ritesh P.; ZAMBARE, Y. B.  and  BONDE, C. G.. Effective potential studies for some new hybrid molecules for their activity against prostate cancer. Ars Pharm [online]. 2018, vol.59, n.3, pp.133-144.  Epub Oct 19, 2020. ISSN 2340-9894.


The present work aimed at developing novel hybrid molecules for targeting the prostate cancer. It is observed that two human shock proteins Hsp70 and Hsp90 are over-expressed in prostate cancer making them one of the important drug targets. We have designed and developed twelve new hybrid molecules 6a-j for targeting these proteins.


The designed molecules were prepared following a four step reaction protocol and characterized on the basis of proton NMR and Mass spectrometry. These were subjected to in vitro studies by means of Oncotest and CCK-8 assays with two cell lines DU145 and 22Rv1. The selected molecules 6b and 6i were subjected to molecular docking and then for SPR based affinity assay.


Compounds 6b and 6i were found to be highly active anticancer compounds comparable to standard drug enzalutamide. They have significant IC50 and high dock score for the Hsp70 and Hsp90. These compounds are selective and have good binding affinity for the Hsp70 due to high Kd.


Compound 6b and 6i can serve as lead molecules for the development of antiprostate cancer drugs with Hsp70 as target.

Keywords : Hybrid; DU145; 22Rv1; SPR; Molecular docking.

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