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Information about Creative Biostructure's compound library resources and drug discovery services, including high-throughput screening (HTS), in silico virtual screening, fragment-based screening (FBS), and high-content screening (HCS). The company offers a range of libraries for hit identification and customized assay development to meet project requirements and maximize the chance of finding hits.
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MagHelix™ HTS Assay Development
High-throughput screening (HTS) is still an effective approach for
identifying promising hits, and Creative Biostructure is a trusted
partner if you would like to develop a more nuanced approach to
HTS for a specific drug target or an ongoing lead discovery project.
Our experts are capable of developing and performing
biochemical/cell-based assays and multi-target profiling assessments
for various receptors, enzymes, and other proteins. We have many
years of experience in transferring, optimizing, and validating
customized assays to meet customer needs. Utilizing our expertise in
molecular biology, cell biology, and analytical chemistry, Creative
Biostructure can also cooperate with customers to design and
develop novel assays. Our experienced scientists can transfer the
assays into HTS approaches.
We support the development of a wide range of detection approaches, from standard
microplate reader assays to imaging, flow cytometry, and high-throughput mass spectrometry
technologies. We follow some key criteria that the HTS assay must meet to maximize its role
in finding hits, such as robustness, reliability, ease of operation, and cost-effectiveness.
In the process of development, validation, and optimization, we always consider the balance
between the cost and maximizing both the ease of assay and the ability to find effective hits.
In addition, the assay must be closely relevant to the physiological or pathological process
that is desired to be disrupted or stimulated. We can offer customers accurate records of all
assay procedures, specifications, and test results.
References
1.Silva-Santisteban M C.; et al. Fragment-based screening maps inhibitor interactions in the ATP-binding
site of checkpoint kinase 2. PLoS One. 2013, 8(6): e65689.
2.Oliveira L M.; et al. Virtual screening for the selection of new candidates to trypanosoma cruzi farnesyl
pyrophosphate synthase inhibitors. Journal of the Brazilian Chemical Society. 2018, 29(12): 2554-2568.
Related Services:
We support a variety of detection approaches, from standard plate reader detection to
advanced technologies such as flow cytometry and high-throughput mass spectrometry. We
have HTS compound libraries for different purposes, including but not limited to, natural
product libraries, target-/disease-/research area-specific libraries, FDA approved drug
libraries, etc. It is worth mentioning that our high-throughput crystallography service
supports the rapid determination of multiple target-ligand crystal structures and offers many
new opportunities for lead discovery.
References
1.Silva-Santisteban M C.; et al. Fragment-based screening maps inhibitor interactions in the
ATP-binding site of checkpoint kinase 2. PLoS One. 2013, 8(6): e65689.
2.Oliveira L M.; et al. Virtual screening for the selection of new candidates to trypanosoma
cruzi farnesyl pyrophosphate synthase inhibitors. Journal of the Brazilian Chemical Society.
Related Services:
Lead Optimization and Preclinical Development
Natural Product Identification and Production
Hit to Lead
In Silico Virtual Screening
Leveraging rapid and cost-effective computational technology to identify potentially active
molecules from virtual compound databases is becoming increasingly popular in drug
discovery. The results of virtual screening can make experimental
high-throughput screening (HTS) more targeted, improve the hit rate, and save a lot of costs.
Creative Biostructure 's computer-aided drug design (CADD) team focuses on the two major
approaches involved in virtual screening, namely structure-based (SBVS) and
ligand-based (LBVS) approaches to provide you with solutions for drug discovery projects.
According to the specific conditions of the project, we can also flexibly combine structure-
based and ligand-based filters in a parallel, hierarchical, or hybrid manner to screen large-scale
compound databases more efficiently and economically. SBVS is more suitable for finding
structurally novel ligands and is the preferred approach when the three-dimensional (3D)
structure of the target protein is known. We are good at analyzing the 3D structure of the
target through experimental techniques, such as
X-ray crystallography, NMR spectroscopy, and cryo-electron microscopy (cryo-EM). Moreover,
we can also obtain the target structure information through homology modeling. In cases
where the target structure is unknown or it is challenging to identify hits through SBVS, LBVS
is the preferred strategy.
Fragment-based Screening (FBS)
Fragment-based screening (FBS) is part of the concept of fragment-based drug discovery
(FBDD), which has developed rapidly as a new strategy in the pharmaceutical industry to
reduce attrition and identify hits for previously intractable biological targets. FBS explores a
broader chemical space by screening a smaller number of compounds. By screening
fragment libraries, the overall efficiency of finding active molecules is improved and
molecules with better druggability can be found.
With the integrated FBDD platform, Creative Biostructure provides FBS services to global
customers with hit identification requirements. The fragment library utilized for screening
can be provided by the customer, specified by the customer, or custom-designed. In
addition, we are able to provide one-stop target protein production services, and you can
also use our high-quality drug target proteins and crystal structure to directly perform FBS.
We can screen active fragments and detect the interaction between fragments and targets
through highly sensitive biophysical techniques such as high-throughput crystallography,
nuclear magnetic resonance (NMR) spectroscopy, surface plasmon resonance (SPR),
bio-layer interferometry (BLI), isothermal titration calorimetry (ITC), thermal shift assay (TSA)
, mass spectrometry (MS), etc.
Our FBS solution is suitable for detecting low-affinity ligands in
primary screening. Many computational methods are also applied to
assist design at different stages of FBDD, and we can utilize
virtual screening technology to assist in the screening of potential
active fragments. The hit compounds obtained by FBS will be
structurally optimized from active fragments to lead compounds.
References
1.Silva-Santisteban M C.; et al. Fragment-based screening maps
inhibitor interactions in the ATP-binding site of checkpoint kinase
2.Oliveira L M.; et al. Virtual screening for the selection of new
candidates to trypanosoma cruzi farnesyl pyrophosphate synthase
inhibitors. Journal of the Brazilian Chemical Society. 2018, 29(12): 2554-
Related Services:
Lead Optimization and Preclinical Development
Natural Product Identification and Production
Hit to Lead
Compared with the screening at the molecular level, cell-based screening eliminates the
need for purification of the target protein, making the environment of screening and the
target conformation closer to the natural physiological state, meanwhile, those compounds
that are cytotoxic and/or cannot penetrate the cell membrane can be rapidly excluded.
References
1.Silva-Santisteban M C.; et al. Fragment-based screening maps inhibitor interactions in the
ATP-binding site of checkpoint kinase 2. PLoS One. 2013, 8(6): e65689.
2.Oliveira L M.; et al. Virtual screening for the selection of new candidates to trypanosoma
cruzi farnesyl pyrophosphate synthase inhibitors. Journal of the Brazilian Chemical Society.
Related Services:
Lead Optimization and Preclinical Development
Natural Product Identification and Production
Hit to Lead
Excerpt from:
https://drug-discovery.creative-biostructure.com/hit-
identification-p