Témakiírások
Biocatalysis for synthesis of enantiopure saturated (hetero)cycles as potential drug scaffolds
témakiírás címe
Biocatalysis for synthesis of enantiopure saturated (hetero)cycles as potential drug scaffolds
témakiíró
tudományág
témakiírás leírása
Rational drug design drives the pharmaceutical industry towards more complex molecules demanding new design principles and reaction routes. Fragment-based drug discovery (FBDD) is well suited for discovering drug leads; it can cover broad swaths of chemical space and allows the use of creative chemistry.
Although sp2-rich (2D) molecules are more rigid than those containing predominantly sp3 atoms, most active drug substances (APIs) are sp2-rich molecules due to the available methodologies such as the toolbox of sp2 cross-coupling reactions. Nevertheless, it is well documented that sp3-rich (3D) molecules are more successful as drug candidates. Thus, new methodologies that produce diverse sets of 3D molecules are essential in drug discovery, although with the additional challenge of multiple stereocenters due to the increased proportion of sp3 atoms.
The inherent (stereo)selectivity of biocatalysts – being based on enzymes, the catalysts of Nature – makes them perfect candidates for chiral 3D fragment generation usually without the need for protecting-group chemistry.
More than half of the small-molecule drugs contain a nitrogen heterocycle. Chiral amine units are also essential structural elements in more than half of the today applied drugs in human therapy. In this project, our aim is to widen the synthetic toolbox for chiral 3D heterocycles decorated with amine or alcohol functionalities serving as chiral units in FBDD by exploring the surprisingly rarely exemplified enzyme-mediated asymmetric synthesis starting from their respective prochiral ketones.
Although sp2-rich (2D) molecules are more rigid than those containing predominantly sp3 atoms, most active drug substances (APIs) are sp2-rich molecules due to the available methodologies such as the toolbox of sp2 cross-coupling reactions. Nevertheless, it is well documented that sp3-rich (3D) molecules are more successful as drug candidates. Thus, new methodologies that produce diverse sets of 3D molecules are essential in drug discovery, although with the additional challenge of multiple stereocenters due to the increased proportion of sp3 atoms.
The inherent (stereo)selectivity of biocatalysts – being based on enzymes, the catalysts of Nature – makes them perfect candidates for chiral 3D fragment generation usually without the need for protecting-group chemistry.
More than half of the small-molecule drugs contain a nitrogen heterocycle. Chiral amine units are also essential structural elements in more than half of the today applied drugs in human therapy. In this project, our aim is to widen the synthetic toolbox for chiral 3D heterocycles decorated with amine or alcohol functionalities serving as chiral units in FBDD by exploring the surprisingly rarely exemplified enzyme-mediated asymmetric synthesis starting from their respective prochiral ketones.
felvehető hallgatók száma
1 fő
helyszín
BME Szerves Kémia és Technológia Tanszék
jelentkezési határidő
2023-01-08