Enter the next stage of modern and sophisticated drug discovery with SeeSAR ‘Midas’. Version 13 has been developed as a powerful and user-friendly tool for the generation of goal-oriented results — with a single click!
Midas comes with a novel ideation engine that we call ‘MedChemesis’: A ligand mutation tool that creates a series of close analogs to a query compound based on common medicinal chemistry reactions. MedChemesis is accessed in the Inspirator Mode to sample the proximal chemical space of a compound for promising modifications (e.g., bioisosteric replacement of a carboxylic acid for a tetrazole group, introduction of a halogens and methyls to increase potency, replacement of a C for an N, heteroatom walks inside an aromatic rings and lots more). With a total of 290 most common medicinal chemistry transformations, MedChemesis explores a plethora of analogs, guided by binding site topology in the most efficient way — avoiding full enumeration of all possibilities, thus saving your time and energy.
‘MedChemesis’ explores compound transformations to generate ideas for the next steps.
Alongside several quality-of-life software improvements, another great feature has been added to augment the on-screen design experience: users can now visualize the target/protein surface. Several coloring and visualization options (based on lipophilicity, chain colors, opaque/transparent, …) are available to create powerful imaging to comply with your needs. And it does not end there: all 3D surface representations can be exported via SeeSAR’s stunning model export (glb format) to be used in slides to visually transfer the core messages of your science! Rotate, zoom in, animate in front of your audience within PowerPoint.
Read the comprehensive changelog here.