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Compound Library Screening and Drug Discovery Services by Creative Biostructure, Slides of Biology

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.

What you will learn

  • How does Creative Biostructure's fragment-based screening (FBS) process work?
  • What are the benefits of using Creative Biostructure's drug discovery services for hit identification?
  • How can Creative Biostructure's compound libraries be used for hit identification?
  • What approaches does Creative Biostructure offer for hit identification in drug discovery?
  • What types of assays can Creative Biostructure develop and perform for HTS?

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2020/2021

Uploaded on 04/28/2021

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Download Compound Library Screening and Drug Discovery Services by Creative Biostructure and more Slides Biology in PDF only on Docsity!

Compound Library Screening

Finding active compounds targeting a biological target is the first step in a drug

discovery project, a process known as hit identification, and it can be challenging. In

drug discovery programs, faster progress and lower attrition rates can be achieved by

obtaining high-quality hits. There are many approaches to achieve this goal, from

traditional high-throughput screening to virtual screening, fragment-based technology

to high content screening. Creative Biostructure offers a range of customized solutions

to help you succeed in the hit identification process. Our team will design a strategy for

the project based on the nature of the project and the information available and the

approaches we provide can be applied individually or in parallel.

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:

  • Lead Optimization and Preclinical Development
  • Natural Product Identification and Production
  • Hit to Lead

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

  1. 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-

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

Thank you!

Excerpt from:

https://drug-discovery.creative-biostructure.com/hit-

identification-p