Predictive Services

MAJ-PRED (Predictive Services)

Testing the waters is by far the safest strategy before jumping into an ocean of risks! At Majecules we believe that we are able to give you a taste of the future through our predictive services. This virtual probing of the real world will help you make better decisions in both resource and risk management throughout your drug discovery journey. MajPRED platform enables you with a vast array of predictive services including but not limited to:

  • Biological Activity (Qualitative & Quantitative): Using previously established experimental data for your biological target of interest, MajPRED can predict the biological activity for your novel compounds using QSAR algorithms.

 

  • ADMET properties: Failure at late drug development stages is often a result of poor ADMET profiles. MajPRED provides you with a detailed predicted ADMET profile for your chemical entities to guide you through the journey of lead compound selection.

 

  • Synthetic feasibility: Translating your virtually designed molecules into real world chemistry could be an unfortunate pitfall if there are no feasible synthetic means. MajPRED spares you the pointless trials by estimating the synthetic feasibility of the chemical entities in question beforehand.

 

  • Binding hotspots: Identifying key interacting residues of a binding pocket is a prerequisite to designing high affinity ligands. MajPRED implements predictive algorithms to define the nature of the binding hotspots and their biological significance in the ligand-target complex stability and function.

 

  • Binding mode and MOA: Understanding the mechanism of action for a your novel compounds and identification of their bioactive conformations, serve as the rational basis for their optimization to drug candidates. MajPRED virtually traces the biological footsteps of your compounds to identify their MOA through sophisticated bioinformatics algorithms. Furthermore, MajPRED predicts their bioactive conformations through statistical analysis of their conformational space.