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Discovery Platforms

Virtual Screening

Virtual screening is a computational approach used to search libraries of small molecules in order to identify hit and even lead compounds. Because of its significantly lower cost, shorter turnaround time, and particularly access to libraries with substantial larger size compared to the traditional High Throughput Screening (HTS), it has quickly become one of the major drug discovery technologies and been widely utilized in drug discovery field. Based on the unique novel drug-like building blocks, PharmaBlock build a virtually novel and diverse libraray and can provide rapid and high-quality virtual screening service that enables researchers to identify novel structures.

Virtual Screening Services Provided

• Structure based drug design including crystal structure analysis, molecule design, protein simulation, virtual screening, druggability evaluation

• Ligand based drug design including confirmation analysis, compound superimposing, scaffold hopping, shape matching, pharmacophore-based screening

• Cheminformatics including library design, HTS analysis, lead compound expansion, SAR analysis, data mining and analysis

Screening Process

PharmaBlock Computational Chemistry Tools


• Schrodinger Drug Discovery

• SuiteCCG MOE

Virtual Libraries at PharmaBlock

• Master Virtual Libraries (over 700M molecules) – Based on different series of drug-like BBs and various chemical reactions

• Specific Libraries – Focusing on defined structural characters: Kinase, Bromodomain, etc.