IDrug: a web-accessible and interactive drug discovery and design platform.

ABSTRACT:

Background

The progress in computer-aided drug design (CADD) approaches over the past decades accelerated the early-stage pharmaceutical research. Many powerful standalone tools for CADD have been developed in academia. As programs are developed by various research groups, a consistent user-friendly online graphical working environment, combining computational techniques such as pharmacophore mapping, similarity calculation, scoring, and target identification is needed.

Results

We presented a versatile, user-friendly, and efficient online tool for computer-aided drug design based on pharmacophore and 3D molecular similarity searching. The web interface enables binding sites detection, virtual screening hits identification, and drug targets prediction in an interactive manner

SUBMITTER: Wang X 

PROVIDER: S-EPMC4046018 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature