Computer-aided Drug Design
With the more and more competitive innovative drugs discovery
progress, choosing appropriate lead compounds becomesthe key step
in the innovative drugs discovery and seeking innovative drugs
in an appropriate way also becomes the most changeable factors
for time and capital investment. Computer-aided drug design has
more incomparable advantages than traditional methods. LD offers
services in innovative drugs discovery. Aiming at diseases related
biological targets, molecular docking, QSAR and denovo drug design
are adopted in the procedures. Virtual screening and structure
optimization are also offered, which could reduce the risk in
innovative drugs discovery.
Flow chart of computer-aided drug design and virtual high throughput
screening system:
