The material preparation for the creation of new drugs begins with the discovery of hits, which are compounds that have preliminary activity on a specific target or action link. There are many ways to discover sprouts, including random screening methods (natural products and high-throughput screening of compound libraries) and rational methods (molecular design based on receptor or ligand structure and mechanism). Fragment-based screening is also a recent technology that combines instrumental analysis and molecular simulation. It is an effective method to discover signs and evolve into precursors.


Solutions for You

Hit compound - lead compound - drug candidate are three important milestones in the creation of new drugs. The discovery of seed compounds is the first difficulty faced by innovative drug R&D companies and research institutions.

At present, the discovery of seed compounds mainly includes the following strategies: high-throughput screening, targeted screening, structure-based drug design, fragment-based drug design, known active compounds, and DNA-encoded compound library (DEL) technology.

Creative Bioarray has a professional research team and a rich database. We can provide you with screening and verification solutions of hit compounds according to your requirements. We hope to reduce research and development costs by improving the efficiency and success rate of key links in drug development.

Hit Compound Screening

  • Lead compounds derived from natural products

Artemisinin is an antimalarial active ingredient isolated from the traditional Chinese medicine Artemisia annua. It is a sesquiterpene peroxide with a new structure.

  • Using existing drugs as lead compounds

In drug research, new drugs can often be found from the side effects of known drugs, or new drugs can be obtained by separating the side effects from the therapeutic effects.

  • Using active endogenous substances as lead compounds

Rational drug design means to research new drugs based on understanding physiological diseases or design drugs for enzymes or receptors related to physiological activities. The endogenous neurotransmitter, receptor, or enzyme-substrate is the initial lead compound.

  • Using combinatorial chemistry and high-throughput screening to obtain lead compounds

Enzymes, receptors, ion channels, etc. can be purified and identified, and used as targets for drug action to establish high-specific in vitro screening models at the molecular and cellular levels. The automated operating system can achieve large-quantity, rapid, and micro-dose screening.

  • Using computer for targeted screening to obtain lead compounds

Based on biological targets, the use of computer software to target and rationally screen compounds and de novo design has become an important means of leading compounds. 

Hit Compound Verification  

The confirmation stage of the seed compound is as follows:

  • Exclude compounds with potential reactivity, interference with testing, or self-aggregation
  • Repeat activity test
  • Measured dose-response curve
  • If homologues are available, conduct a structure-activity relationship (SAR) study
  • Verify whether the binding to the target is reversible
  • Orthogonal test
  • Secondary screening
  • Evaluation of drug ability
  • Chemically easy handling
  • Intellectual Property Evaluation
  • Sorting and clustering of seed compounds, preliminary SAR analysis

Project Process

Creative Bioarray' medicinal chemistry team specializes in the identification of hit compounds in the development of small molecule drugs, the determination of lead compounds, computer-aided drug design, further selection and structural optimization of lead compounds, and ADME/Tox parameter testing. We have accumulated rich and successful experience and can help customers develop effective, safe and intellectual property hit compounds.

Project Process

Why Choose Us

Professional Platform and Excellent Team

We have a professional technical platform, equipped with advanced instruments and talented and well-trained experts.

Committed to Quality

We put quality first. We provide high-quality products, services and solutions to support customers worldwide.

World-class Service Capabilities

We provide one-stop service, from order to final report, to provide the best solution for your research. We hope to help you complete your research more easily and efficiently.


We adhere to a mutually beneficial and win-win cooperation model, pay attention to customer needs and goals, and create the greatest value for customers.

If you are interested in our services, please contact us for more detailed information.

* For scientific research only

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