Pharmacophore Modeling for Antitargets

Title:Pharmacophore Modeling for Antitargets

Volume: 13 Issue: 9

Author(s): Khac-Minh Thai, Trieu-Du Ngo, Thanh-Dao Tran and Minh-Tri Le

Affiliation:

Keywords: Antitargets, P-glycoprotein, Human ether-a-go-go related gene, Cytochrome P450, Pregnane X-receptor, Pharmacophore modeling, hERG, P-gp, ABCB1.

Abstract: The pharmacophore modeling in modern drug research has been applied for both bioactivity profiling and early stage of risk assessment of potential side effects and toxicity due to interactions of drug candidates with antitargets namely P-glycoprotein, hERG, cytochrome P450 and pregnane X-receptor. In this article, an existing state concerning with pharmacophore modeling applied for promiscuous proteins in drug research were updated and reviewed. In an attempt to create new safe medicines faster, the partial overlap of substrate properties of hERG, P-glycoprotein, pregnane X-receptor and cytochrome P450 has to be considered and drug safety has to be dealt on a system level on the off-targets.

Cite this article as:

Thai Khac-Minh, Ngo Trieu-Du, Tran Thanh-Dao and Le Minh-Tri, Pharmacophore Modeling for Antitargets, Current Topics in Medicinal Chemistry 2013; 13 (9) . https://dx.doi.org/10.2174/1568026611313090004