摘要
We present herein a novel dissection-then-evolution strategy for ligand optimization. Using the co-crystal structure of the smoothened receptor (SMO) as a guide, we studied the modular contribution of LY2940680 by systematically "silencing" the specific interaction between the individual residue(s) and the fragment in the ligand. Following evolution by focusing on the benzoyl part finally yielded an improved ligand 21.
- 出版日期2017-6-1
- 单位上海科技大学; 中国科学院上海生命科学研究院; 中国科学院上海药物研究所; 中国科学院大学