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The most reasonable way to get your desired molecules.

Mcule provides a quick, easy and effective solution for your drug discovery needs. Challenge us!

  1. Discovery

    • database of commercially purchasable compounds curated with MAC technique (see our poster)
    • flexible, integrated screening workflows with various tools
    • molecule collection management (hit lists, libraries)
  2. Consultancy

    • improve your in-house drug discovery workflow
    • molecular modeling service (docking, pharmacophore searching, QSAR, diversity selection)
    • hit identification and lead optimization using experimentally validated processes
    • extension of your compound library with just the necessary new compounds
  3. Delivery

    • single contact to multiple suppliers
    • one-click ordering of large collection of molecules
    • fast, single-package "home delivery" service

How can mcule help you?

  • providing a platform for collaborative/multisite drug discovery projects
  • effective way to identify new drug candidates using mcule’s virtual screening tools
  • order compounds from various suppliers with a single click
For more information please contact us at [javascript protected email address] or use our contact form.

Why mcule?

  • cost-effective: no need to invest in computationally intensive IT infrastructure
  • integrated: already integrated environment of various commercial and open source virtual screening tools
  • secure: we apply the latest industry standards in security and privacy
  • productive: more discovery projects per year for the same effort

Publications and Papers

  • one of the largest docking-based virtual screenings ever yielded novel histamine H4 receptor chemotypes (J. Med. Chem. 2008, 51, 3145-53)
  • experimental validation of our GPCR fragment library design process yielded 100% hit rate (Poster at ACS 2012 San Diego)
  • Novel JAK1 inhibitors (see our presentation August 22, 2012 from 10:45 am to 11:15 am, Pennsylvania Convention Center, Room: 117)

Mcule presentations at the 244th ACS National Meeting

Application of automated and validated virtual screening workflows: A hand-tool for medicinal chemists to generate and/or evaluate ideas

Exploring the chemical space of histamine receptor ligands using drug discovery tools at mcule.com

Scaling drug discovery pipelines at mcule.com

Application of automated and validated virtual screening workflows: A hand-tool for medicinal chemists to generate and/or evaluate ideas

Evaluation of data quality in currently available compound libraries

Integration strategies for virtual and experimental screening. A case study on c-Jun N-terminal kinase 3 (JNK3)

Identifying TRPV1 modulators by structure-based virtual screening: A case study of using drug discovery tools at mcule.com

Identifying novel JAK1 inhibitors by structure-based virtual screening: A case study of using drug discovery tools at mcule.com

Evaluation of data quality in currently available compound libraries

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