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Applications of multi-target computer-aided methodologies in molecular design of CNS drugs

dc.contributor.authorRaevsky O.A.
dc.contributor.authorMukhametov A.
dc.contributor.authorGrigorev V.Y.
dc.contributor.authorUstyugov A.
dc.contributor.authorTsay S.-C.
dc.contributor.authorHwu R.J.-R.
dc.contributor.authorYarla N.S.
dc.contributor.authorBarreto G.E.
dc.contributor.authorAliev G.
dc.contributor.authorBachurin S.O.
dc.date.accessioned2020-09-02T22:26:30Z
dc.date.available2020-09-02T22:26:30Z
dc.date.issued2018
dc.identifier10.2174/0929867324666170920154111
dc.identifier.citation25, 39, 5293-5314
dc.identifier.issn09298673
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5939
dc.descriptionThe 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 the discovery of cancer pharmaceuticals, may be a perspective solution for CNS diseases. Special bioinformatics 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 the development of multi-target approaches in quantitative structure-activity relationships (mt-QSAR) for CNS drug discovery; and describes applications of multi-target approaches in molecular modelling (which can be called mt-MM), as well as perspectives for multi-target approaches in bioinformatics in relation to Alzheimer’s disease. © 2018 Bentham Science Publishers.
dc.language.isoen
dc.publisherBentham Science Publishers B.V.
dc.subjectAlzheimer’s disease
dc.subjectBioinformatics
dc.subjectCheminformatics
dc.subjectMolecular modelling
dc.subjectMTDL
dc.subjectMulti-target
dc.subjectQSAR
dc.subjectcentral nervous system agents
dc.subjectligand
dc.subjectcentral nervous system agents
dc.subjectalgorithm
dc.subjectAlzheimer disease
dc.subjectbioinformatics
dc.subjectcomputer aided design
dc.subjectdrug design
dc.subjectdrug targeting
dc.subjecthuman
dc.subjectmethodology
dc.subjectmolecular docking
dc.subjectmolecular model
dc.subjectnonhuman
dc.subjectprocess optimization
dc.subjectquantitative structure activity relation
dc.subjectReview
dc.subjectAlzheimer disease
dc.subjectbiology
dc.subjectcentral nervous system disease
dc.subjectchemistry
dc.subjectpathology
dc.subjectAlzheimer Disease
dc.subjectCentral Nervous System Agents
dc.subjectCentral Nervous System Diseases
dc.subjectComputational Biology
dc.subjectDrug Design
dc.subjectHumans
dc.subjectLigands
dc.subjectModels, Molecular
dc.subjectQuantitative Structure-Activity Relationship
dc.titleApplications of multi-target computer-aided methodologies in molecular design of CNS drugs
dc.typeReview


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