Aimed at discovering innovative drug candidates for the treatment of trypanosomatid infections, we decided to follow two strategies that are nowadays well known in the med chem community: structure-based drug design; library design and synthesis. In the first approach, the 3D structure of validated molecular targets are used as starting point for docking simulations and de novo design. In the second approach, a compound library of 15-to-20 molecules was generated and tested by means of whole-parasite assays. In this case, the molecular target is initially unknown, and a posteriori by means of forward-chemical-genetics approaches, like the chemical proteomics, the target is tentatively fished out from parasitic cell extracts.

M. L. Bolognesi, A. Cavalli (2008). Design and synthesis of new classes of derivatives bearing antitrypanosomal and antileishmanial activity. S. L. : s. n..

Design and synthesis of new classes of derivatives bearing antitrypanosomal and antileishmanial activity

BOLOGNESI, MARIA LAURA;CAVALLI, ANDREA
2008

Abstract

Aimed at discovering innovative drug candidates for the treatment of trypanosomatid infections, we decided to follow two strategies that are nowadays well known in the med chem community: structure-based drug design; library design and synthesis. In the first approach, the 3D structure of validated molecular targets are used as starting point for docking simulations and de novo design. In the second approach, a compound library of 15-to-20 molecules was generated and tested by means of whole-parasite assays. In this case, the molecular target is initially unknown, and a posteriori by means of forward-chemical-genetics approaches, like the chemical proteomics, the target is tentatively fished out from parasitic cell extracts.
2008
XIII Meeting Strutture Eterocicliche nella Ricerca Farmaceutica, Atti
170
180
M. L. Bolognesi, A. Cavalli (2008). Design and synthesis of new classes of derivatives bearing antitrypanosomal and antileishmanial activity. S. L. : s. n..
M. L. Bolognesi; A. Cavalli
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/69216
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