Ligand Discovery and Design Service

Molecular targeting of specific proteins by small molecules is one of the key issues in biological research. Such small molecules and peptides, may be useful reagents for further biological research or may form the basis for early-stage drug discovery. Recently, small compounds based PROTAC and peptide based PROTAC have been used in more and more disease research.

Profacgen can provides ligand discovery and design services for both of small compounds based PROTAC and peptide based PROTAC. With our large compounds libraries, virtual screening (molecular docking) can be used in small molecular ligand discovery and design. Based the structure data base, peptide ligand for E3 ligase or target protein will be optimized and designed.

Figure 1. The workflow of virtual screening for small compound ligand discovery

Figure 2. Cell-Permeable Peptide-Based Degrader for Alpha-Synuclein

Our Services:

• Homologous modeling (receptor/ligand without structure)
• Receptor and ligand preparation
• Binding site determination
• Preparation of ligand conformation database
• Molecular docking
• Results analysis and evaluation

With Profacgen's scientists, the Ligand Discovery and Design Service to generate novel molecules with desirable targeted profiles and promote drug discovery programs.

Please feel free to contact us for more information.

References:

1. Gane PJ, Chan AWE. (2013). Molecular fields in ligand discovery. Methods in Molecular Biology, 479–499. doi:10.1007/978-1-62703-398-5_18
2. Yi Liua, Yu Lei et al. Ensemble-based virtual screening in discovering potent inhibitors targeting Von Hippel-Lindau (VHL) E3 ubiquitin ligase. Life Sci. 2020. doi: 10.1016/j.lfs.2020.118495. Epub 2020 Sep 26.
3. Yan ZiAu, TingjianWang et al. Peptide-Based PROTAC: The Predator of Pathological Proteins. Cell Chemical Biology 2020. doi.org/10.1016/j.chembiol.2020.06.002

Related Sections

Services:
Small molecule ligand screening
Peptide design for E3 ligase or target proteins
Custom peptide and compound synthesis