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Ligand-Based Drug Design and Discovery

Workflow Design Based on 

Stage 1

  • Identification of Protien / enzymes target from literature.

  • Prediction / retrieval of protien / enzyme structure. 

  • Identification/ retrieval / construction of chemical compounds libraries. 

  • Pharmacophore model  generation 

  • Virtual screening of large databases / libraries 

  • Molecular docking simulations 

  • Protien-Ligand interactions analysis ( 2D and 3D plots) 

  • Insilico ADMET profile estimations 

  • Molecular dynamic simulations 

  • Binding free energies calculations

Stage 2

  • Computing data and visualization of the results: (Statistical visualization which includes heatmaps, tabular, Venn diagram, bar charts, clusters, etc.)

  • Report (Materials and Method, Results and References)   

The workflow as we have shown you entails the steps of bioinformatics analysis to be carried out for your data and each is unique to the workflow designed for the final outcome. 

The analysis will be conducted providing your desired visualization for each major steps.

The following will be provided after the complete job is done.

  • Protein sequences

  • A detailed draft of a report containing the materials and methods, results, and references

  • Visualizations (figures)

  • Technical support: A live zoom session will be held to explain and discuss the results with you. 

Get In Touch

You can book a free session with us to discuss what you want to do, your research project, and show you a demo report. We promise to deliver accurate and trusted work done.

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