원문정보
초록
영어
A pseudoreceptor combines structure-based and ligand-based techniques to represent a unifying concept for both receptor mapping and ligand matching. In this molecular modeling approach, there are opportunities to construct the pseudoreceptor models using a set of small molecules. To build a reliable pseudoreceptor model, we need a set of ligand molecules with known affinity (biological activity) to generate 3D bioactive conformation for each of these ligand molecules. Several software packages are available to generate a pseudoreceptor model and this can provide an entry point for structure based drug discovery in cases where receptor structure information is not available. In this review, we presented the concept of pseudoreceptor, as well as discussed about various software packages available to generate a pseudoreceptor model
목차
1. Introduction
2. Concept of Pseudoreceptor
3. Methodology
4. Popular pseudoreceptor programs
4.1. ConCept - Fragement Based Model
4.2. FLARM - Atom Based Model
4.3. PrGen and Yak - Peptide Based Model
4.4. Quasar - Atom Based
4.5. RECEPS - Grid-Based Model
4.6. RECEPTOR - Isosurface Basedl
4.7. SKELGEN - Partition-Based Model
5. Application of Pseudoreceptor
6. Conclusions
References