FBDD and drugs originated from FBDD
10.16438/j.0513-4870.2023-0955
- VernacularTitle:基于片段方法创制的药物
- Author:
Zong-ru GUO
- Publication Type:Research Article
- Keywords:
fragment-based drug discovery;
computer aided drug design;
ligand efficacy;
fragment growth, linking and fusion
- From:
Acta Pharmaceutica Sinica
2023;58(12):3490-3507
- CountryChina
- Language:Chinese
-
Abstract:
The binding of small molecule drugs to targets is mostly through non-covalent bonds, and hydrogen bond, electrostatic, hydrophobic and van der Waals interactions function to maintain the binding force. The more these binding factors lead to strong bindings and high activities. However, it is often accompanied by the increase of molecular size, resulting in pharmacokinetic problems such as membrane penetration and absorption, as well as metabolism, which ultimately affects the drug success. Fragment-based drug discovery (FBDD) is to screen high-quality fragment library to find hits. Combine with structural biology, FBDD generates lead compounds by means of fragment growth, linking and fusion, and finally drug candidates by the optimization operation. During the value chain FBDD is closely related to structure-based drug discovery (SBDD). In this paper, the principle of FBDD is briefly described by several launched drugs.
