1. Biotech

BOC Sciences August Promotion: Compound Docking Solutions for Drug Discovery

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As the leading expert in computer-aided drug discovery, BOC Sciences has developed compound docking technologies to facilitate the discovery of novel ligands for over 30 targets.


Has compound docking ever brought us medicine? This was generally questioned in the pharmaceutical industry. With many innovators like BOC Sciences springing up and improvements being made in computational chemistry, compound docking is now becoming increasingly important for drug discovery.


“We have witnessed many successful cases of compound docking applications in drugs for the treatment of HIV, cancers, and other prevalent diseases. The technical details refer to docking algorithms, Cresset software, other relevant computational methods, etc., which in combination make up our comprehensive service package,” commented a senior scientist of BOC Sciences.


The Kuntz team at California State University, San Francisco firstly developed the molecular docking software DOCK in 1982. Since then, professionals have innovated a large number of docking algorithms, to which BOC Sciences also devoted much energy. Currently, BOC Sciences is experienced in various search algorithms. It can combine information from distinct scoring functions to balance errors in a single score and to improve the possibilities of identifying “true” ligands.


“Our compound docking expertise will exert a significant impact on promoting the drug discovery process,” the senior scientist promised, “Other than the miscellaneous algorithms, we have years of experience collected from successful or failed cases, and above all, a dedicated team of experts in computational chemistry provides the source for us to stay ahead.”


Below is an overview of BOC Sciences' compound docking service landscape:

  • Detailed preparatory work to model the protein active site
  • Docking and virtual screeningusing different scenarios
  • Analyzing the results and compiling a purchasing list


Although compound docking is now regarded as a relatively mature method in computer-aided drug discovery, it is supposed to be optimized for a more accurate result. Based on the thorough research about the interaction between immobilized ligand and protein, BOC Sciences has been constantly improving its docking technologies, which greatly raises its capacity to enrich the small number of known active compounds in the top ranks of a screen from a much larger number of decoy molecules in the database.


About BOC Sciences

BOC Sciences specializes in computational biology and chemistry. It possesses a wealth of experience in informatics, virtual screening, and molecular modeling, and serves global partners with a full range of computer-aided drug design support and services.



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