• Screening virtual para la identificación de nuevos hits

GROUP OF NUCLEOSIDES AND ANALOGUES as a source of bioactive molecules

VIRTUAL SCREENING FOR THE IDENTIFICATIONS OF NOVEL HITS

Virtual Screening is a novel tool increasingly used in drug discovery campaigns. This in silico methodology, which makes use of different computational methods, can be applied not only for hit identification but also for lead optimization. The main advantage of virtual screening compared with other experimental screening approaches, relies on its speed and efficacy to identify new ligands with no structural resemblance to the existing ligands.

Our research group is an active member of the bioinformatics platform BIPEDD (Bioinformatics Integrative Platform for structurE-based Drug Discovery link a www.bipedd.es) , a unique project that brings together a multidisciplinary community of experts in the fields of computational biology, medicinal chemistry and structural biology. The main goal is the development of bioinformatics tools for virtual screening and their use in the discovery and optimization of novel bioactive compounds in areas of significant therapeutic relevance such as infectious diseases and cancer.

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