- Computer-Aided Drug Design (CADD)
- DNA-Encoded Library Technology (DELT)
- Fragment-Based Screening
- High Content Screening (HCS)
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High Throughput Screening (HTS)
- Automated HTS Platform
- Biochemical assays in Hit Characterization
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Biophysical Assays in Hit Characterization
- BLI for Affinity-based Hit Screening
- CD Spectrometry for Protein Structure Determination
- ITC for Binding Assessment
- MS for Structure Confirmation
- MT for Binding Affinity Measurement
- NMR Spectrometry for Tareget identification and Characterization
- SPR Spectrometrys for Structure Determination
- TSA for Protein's Stability Evaluation
- Cellular assays in Hit Characterization
- Drug Repurposing
- Hit Screening
- HTS Assay Development
- HTS Compounds Libraries
- HTS Data Management
- Virtual Screening (VS)
One-stop
Drug Discovery Services
- Experienced and qualified scientists functioning as project managers or study director
- Independent quality unit assuring regulatory compliance
- Methods validated per ICH GLP/GMP guidelines
- Rigorous sample tracking and handling procedures to prevent mistakes
- Controlled laboratory environment to prevent a whole new level of success
HTS Data Management
INQUIRYData obtained from high throughput screening is usually not a qualified one and therefore additional detection of reactive false positives is required. Data management consists of two parts: data process and analysis, which refers to the experimental results transmission, data storage and diverse analysis methods (including dose-response analysis, structure analysis, clustering, etc.). The aim of processing and analysis of the raw data is to get the most valuable information and therefore identify the most potential lead compounds with sufficient activity.
Fig.1 Analysis of dose response data for hits from the local HTS. (Bageshwar, U. K.; et al. 2016)
HTS Data Management Services
Data screening
Plate-level data visualization is completed in just a few moments by our teams. We are capable of providing integrated stack view which displays all plates of a series in one graphic and this interactive plate views allow us a rapid and easy detection of false positives.
Quality management
Several statistical parameters, such as Z’ and CV are useful in quality control of experimental data. We design interactive charts to track problematic data sets and conduct processing in time utilizing our statistics knowledge.
Dose-response analysis
We check if the IC50 or EC50 values have a reasonable slope and whether they are unaffected by incubation time through performing non-linear regression of dose-response data. Our team can also provide a rapid assessment and help to remove the outlier data points.
Undesirable structures pick-up
It is necessary to remove compounds obtained from HTS with undesirable properties. Herein we introduce substructure searching and similarity searching to filter false positives.
Substructure searching: Since some of the substructure might represent functional groups such as some kind of important pharmacophore. We therefore select molecules of your interest and conduct a set of substructure searching to identify compounds with the same substructure.
Similarity searching: BOC Sciences has developed a database with a large number of molecular fingerprints created based on the presence or absence of structural features. Our scientists select potential chemical molecules and perform searching operations for the compounds with similarities. We are experienced in identifying a common structure with our multiple expertise including clustering techniques, recursive partitioning methods and selecting from singletons.
Real-time analysis
Timely data delivery is available by running analysis sessions as soon as the plates come out of the instrument, helping to save your money and time by shortening the analysis cycles.
·Data storage
We ensure that your experimental results enable to be transmitted to our data warehouse rapidly and safekeeping. Furthermore, our customers have secure access to the data warehouse to obtain important information anytime.
Our Advantages of HTS Data Management Services
- Our teams have ability to handle large volumes of data, and we can also perform hit series confirmation to generate leads for your project.
- We also offer the best customized solution to meet your data management requirements.
Reference
- Bageshwar, U. K.; et al. High Throughput Screen for Escherichia coli Twin Arginine Translocation (Tat) Inhibitors. Plos One. 2016, 11(2): e0149659.
※ It should be noted that our service is only used for research.
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