In your lab, we developed the 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 the molecule is substituted by another with similar physical chemistry properties. This change can modulate pharmacokinetics and pharmacodynamics properties from an original molecule in the lead optimization process.
Click in the figure beside to download from MB-Isoster software:
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 below:
•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