3 years ago

Applications of Multi-Target Computer-Aided Methodologies in Molecular Design of CNS Drugs.

: Discovery of drugs for diseases of the central nervous system (CNS) faces high attrition rates in clinical trials. Neural diseases are extremely complex in nature and typically associated with multiple drug targets. A conception of multi-target directed ligands (MTDL), widely applied to discovery of cancer pharmaceuticals, may be a perspective solution for CNS diseases. Special bio-informatics approaches have been developed which can assist the medicinal chemists in identification and structural optimization of MTDL. In this review, we analyze the current status of development of multi-target approaches in quantitative structure-activity relationships (mt-QSAR) for CNS drug discovery; and describe applications of multi-target approaches in molecular modelling (which can be called mt-MM) as well as perspectives for multi-target approaches in bio-informatics in relation to Alzheimer&apos's disease.

Publisher URL: http://doi.org/10.2174/0929867324666170920154111

DOI: 10.2174/0929867324666170920154111

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