Tools
MB-Isoster
In your lab, we developed MB-Isoster program in order to build molecules based on bioisosterism principles. Bioisosterism is a technic used in medicinal chemistry in which a fragment in molecule is substituted by another with similar physical chemistry properties. This change can modulate pharmacokinetics and pharmacodynamics properties from original molecule in lead optmization process.
It is easy use MB-Isoster. Users must click File → Open to open a input molecule, click in atoms that he/she can change, and click Molecule → Make bioisosteres
We are improving the presentation of MB-Isoster software so that we can better serve the scientific community, once the software was registered and published in 2018 with the reference:
T. C. Elias, H. C. B. de Oliveira, N. J. F. da Silveira. J. Comput. Chem. 2018, 9999, 1-8. DOI: 10.1002 / jcc.25581