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HomeTechnical Services Virtual Screening
TargetMol | Virtual Screening

Virtual Screening

The power of AI unleashed. Vast databases screened at ease.

TargetMol | Experienced Team
Over a decade of computational drug development experience.
TargetMol | High Throughput
19M compounds can meet various screening needs of customs;
TargetMol | Time Efficient
90% of compounds can be supplied for follow-up experiments
TargetMol | Cost Effective
In silico operation significantly reduces costs from in vivo experiments
TargetMol | Hit Candidates Workflow

TargetMol's hit candidates: accelerating and simplifying drug discovery

Provided by TargetMol

Virtual screening is a technique used to identify potential active compounds from a large pool of candidates. In a vast collection of compounds, only a few are active against a specific target. Traditional direct screening, while comprehensive, has a low probability of identifying active compounds and is costly. In contrast, virtual screening enhances the likelihood of finding active compounds, even though not all identified candidates will be active, making it a more efficient and cost-effective approach.


TargetMol LibrariesvariedLibraries Varied More than 800 Libraries with bioactive compounds and natural products for screening on exact target and signal pathwayIn Stock
TargetMol20K + Clear target and biological activity information with flexible specification, TargetMol20K+Suitable for drug repositioning, cell induction, mechanism research, target identification and so onIn Stock
Topscience database26M + All diversity compounds, natural compounds in Topscience eco-chainCommercially available


PLK1-SHCBP1 complex is involved in cell mitosis and promotes cancer, so it is of great significance to design inhibitors of PLK1-SHCBP1 complex. We constructed the 3D structure of SHCBP1 by Homologous Modeling, and predicted the binding mode of PLK1-SHCBP1 by Molecular Docking. Subsequently, 17,676 compounds (mainly including natural products and bioactive compounds) of Targetmol were screened by Virtual Screening. Forty candidate compounds were obtained with Artificial Selection. Finally TFBG (TSID: T4S0554) was selected, which is expected to be an effective method for the treatment of gastric cancer.
TargetMol | PLK1-SHCBP1 Case
TargetMol | Publication
TargetMol | Technology ServicesContact us