The TD5 research line frames its attention in the integration of three major components from the computational, as well as experimental point of view: Target discovery, Drug Discovery and Drug Delivery.
Identifying new targets is a key aspect of modern drug discovery. In this context, for the discovery of new drugs and targets, computational tools and approaches have been used to explain and predict the events related to the drug-target interaction.
Within the target discovery, genomics is contributing to the discovery of drugs through the discovery and validation of potential targets, with the application of related disciplines such as pharmacogenomics, associated with gene sequencing. Thus, a drug can selectively target a single receptor present in an agent of the infection and not in its host.
Drug discovery: Bioinformatics tools stand out as a promising alternative to minimize costs and time spent on drug discovery.
This process focuses on different strategies, initiated with the discovery of targets, followed by the study of drug design methods, molecular simulations and data integration. Thus, methods for the discovery / design of computer-aided drugs (CADD) have emerged in recent decades as a powerful new tool in medicinal chemistry.
The CADD methodology is based on the molecular interpretations of biological systems at tomic level. These methods take into account the experimental and theoretical information available on the drug-target interactions to select a series of active compounds.
Among the CADD techniques, two are particularly noteworthy: drug discovery based on structure (SBDD) and drug discovery based on ligand (LBDD). These tools have been applied successfully in the TD5 research group of the CBIB.
In the TD5 research group (Target Discovery, Drug Discovery and Drug Delivery) we integrate these areas in a single concept, from the computational approach to an efficient experimental development applying optimal chemical synthesis strategies, to a complete biological evaluation.