Molecular Docking for Identification of Potential Targets for Drug Repurposing

Title:Molecular Docking for Identification of Potential Targets for Drug Repurposing

Volume: 16 Issue: 30

Author(s): Heng Luo, William Mattes, Donna L Mendrick and Huixiao Hong

Affiliation:

Keywords: Docking, Drug, Target, Target identification, Drug repurposing.

Abstract: Using existing drugs for new indications (drug repurposing) is an effective method not only to reduce drug development time and costs but also to develop treatments for new disease including those that are rare. In order to discover novel indications, potential target identification is a necessary step. One widely used method to identify potential targets is through molecule docking. It requires no prior information except structure inputs from both the drug and the target, and can identify potential targets for a given drug, or identify potential drugs for a specific target. Though molecular docking is popular for drug development and repurposing, challenges remain for the method. In order to improve the prediction accuracy, optimizing the target conformation, considering the solvents and adding cobinders to the system are possible solutions.

Cite this article as:

Luo Heng, Mattes William, Mendrick L Donna and Hong Huixiao, Molecular Docking for Identification of Potential Targets for Drug Repurposing, Current Topics in Medicinal Chemistry 2016; 16 (30) . https://dx.doi.org/10.2174/1568026616666160530181149