Anticancer activity and molecular docking studies of ferrocene tethered ionic liquids

Publication date: Available online 15 June 2019Source: Journal of Molecular LiquidsAuthor(s): Prakash Bansode, Pradnya Patil, Prafulla Choudhari, Manish Bhatia, Apurva Birajdar, Indumathi Somasundaram, Gajanan RashinkarAbstractA novel series of ferrocene tethered ionic liquids (ILs) has been synthesized by quaternization of 1-N-(ferrocenylmethyl)benzimidazole, 1-N-(ferrocenylmethyl)imidazole and 1-N-(ferrocenylmethyl)-1,2,4-triazole with long chain alkyl bromides. The synthesized ILs were screened for their anticancer activity against human breast cancer cell line MCF-7. ILs 2a–d and 4b displayed significant anticancer activity (GI50 0.016–0.064 μM). IL 2d was found to be the most active IL with GI50 value of 0.016 μM which was even less than the standard drug doxorubicin (GI50 = 0.018 μM). All ILs exhibit moderate to good selectivity against breast cancer cells MCF-7 over normal Vero cells. The ADME prediction studies revealed that ferrocene tethered ILs exhibit good pharmacological parameters. The molecular docking studies ascertained mode of action of these ILs via inhibition of lysosomal peptidase cathepsin B.Graphical abstract
Source: Journal of Molecular Liquids - Category: Molecular Biology Source Type: research