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Multi-target-directed ligands (MTDL) as challenging research tools in drug discovery: from design to pharmacological evaluation

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TThis special issue is dedicated to the collection of research activities related to four main areas critical for the development of novel multi-target-directed ligands (MTDL) obtained through the close cooperation among pharmacologists, biochemists, medicinal chemists and toxicologists and a detailed ...

TThis special issue is dedicated to the collection of research activities related to four main areas critical for the development of novel multi-target-directed ligands (MTDL) obtained through the close cooperation among pharmacologists, biochemists, medicinal chemists and toxicologists and a detailed analysis of the interactions and the dynamism of the biological network involved in pathological states. This research topic should collect new approaches developed to overcome the main issues faced by medicinal chemists in the design, synthesis and biological evaluation of these promising, but extremely challenging new chemical entities. The first is the identification of new MTDL derived either from natural sources or synthetic procedures. The second is related to the-state-of-the-art biological and biophysical tests particularly suited to rapidly explore a multi-target profile. The third concerns the creation of chemoinformatic tools such as chemical database for the collection and management of multi-target agents. The fourth is dedicated to advanced methods for the in silico estimation of multi-target ligands by means of docking and virtual screening tools. Contributions covering multiple topics are particularly welcome.


Keywords: drug discovery, rational drug design, multi-target paradigms, multidisciplinary cooperation


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