BioLeap > Technology

Overview

BioLeap reliably predicts the effect of compound modifications on target affinity and minimizes unproductive guesswork during molecule discovery. We advance compounds with better properties for compound development, reduce the compound attrition rate and produce development candidates of higher value.

Broad chemical diversity is crucial for both lead identification and lead optimization. Screening the limited chemical variety of compound libraries often is not sufficient to yield viable starting points for medicinal chemistry efforts. By contrast, BioLeap’s methodology draws upon all of chemical space, and thus conceives molecules of practically infinite structural diversity. We can create molecules de novo, or modify existing lead structures in non-obvious ways.

BioLeap’s thermodynamically-principled computational fragment-based molecule design (CFBMD) platform creates a map of where, and with what affinity, small chemical building blocks—fragments—bind to the target protein. Guided by proprietary design software, our chemical designers fashion fragments into candidate compounds that are calculated to associate with predictable affinity to a target protein. By ranking the compounds by binding affinity and considering practical matters of synthetic tractability, only the most promising few compounds can be chosen for synthesis and testing. This in turn decreases the cost, time and materials necessary for lead generation thus creating a more environmentally conscience process.

Guided by proprietary design software, our molecule designers fashion fragments into candidate compounds that are calculated to associate with predictable affinity to a target protein.