As a leading developer in preclinical drug discovery, Creative Biolabs has years of experience in virtual screening for lead identification, lead optimization, and scaffold hopping. We are happy to provide this inexpensive and fast alternative to high-throughput screening for discovering new drugs. Recently, we have successfully developed an advanced ligand-based screening platform to help worldwide customers characterize potential drug targets without three-dimensional (3D) structures.
Ligand-based virtual screening (LBVS) is one of the two broad categories of computational techniques for virtual screening. Based on the fact that ligands similar to an active ligand are more likely to be active than random ligands, LBVS methods attempt to prioritize candidate molecules rather than decide whether a candidate molecule is active or not. Typically, a simple LBVS process just includes a few steps. First, a molecular representation of each of the input molecules is built. Secondly, similarities between candidate molecules and known active molecules will be evaluated and ranked. In the next step, the candidates are ranked according to their respective scores. Finally, a small number of active compounds will be identified from a library including a large number of inactive compounds.
Fig.1 Depiction of ligand-based virtual screening process used to develop NAADP antagonist. (Parkesh, 2016)
It is a very efficient way of developing novel chemical matter using ligand-based computational tools to design new scaffolds or molecular fragments. Working in the area of virtual screening for years, Creative Biolabs has developed state-of-the-art software for ligand-based virtual screening. In addition, we also have created our own database on the drug-like properties of different chemical species. Particularly, the hit rate of our exceptional virtual screening could reach 10% to 20%, which is much higher than normal high-throughput screening methods (generally less than 1%). The LBVS services provided by Creative Biolabs are listed as below, which including but not limited to:
Creative Biolabs is committed to providing high quality ligand-based virtual screening services to help global researchers identify promising candidates. Based on the laws of quantum and molecular physics, our virtual screening services can achieve highly accurate results. The virtual screening protocol can be customizable according to the specific requirements of the customers. if you are interested in the service we offer, please feel free to contact us or directly send us an inquiry.
Reference
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