Structure-based drug design

Structure-based drug design is a common drug research and development strategy. According to the structure of the target protein, small molecular drugs with specific activity and selectivity were designed by analyzing the interaction between molecules.

The specific steps of this strategy include three aspects: first, the structure of target protein is simulated by computational chemistry, and the interaction mode between drugs and protein is predicted; The second is to design drug molecules with specific chemical structures and optimize them according to the calculated interaction mode; The third is to verify the activity and selectivity of drugs through experiments.

Structure-based drug design has many advantages, the most significant of which is that it can quickly design drug molecules with high activity and high selectivity, while reducing the experimental cost and time. In addition, structure-based drug design can help researchers better understand the interaction mechanism between drugs and protein molecules.

In a word, structure-based drug design is a very important drug research and development strategy, which can quickly design drug molecules with specific activity and selectivity and provide strong support for new drug research and development.