Quanitative structure activity relationship (QSAR)‎ studies on a series of thiol-based saha analogues as potent histone deacetylase (HDAC)‎ inhibitors

الملخص EN

Suberoylanilide hydroxamic acid (SAHA), is a potent inhibitor of Histone deacetylases (HDACs) and is widely known as an effective experimental anti-glioma agent that determines the safety, tolerability, and antitumor effectiveness of an oral investigational drug.

The HDAC inhibitory activities of thiol-based SAHA analogues have been analyzed in relation to their physicochemical properties and are found to be significantly controlled by electronic parameter equalized electro negativity (Xeq) together with indicator parameter I, for -CONHOH group, hydrophobic parameter partition coefficient (log P) together with 13 for -SH and steric parameters such as molar volume (MV) and parachor (PC) with I2 for -NHCONHNH2 at position R.

The results are found to be useful in discussing the mechanism of drug-receptor interaction.