grant

Developing a computational platform for induced-fit and chemogenetic drug design

Organization VANDERBILT UNIVERSITYLocation Nashville, UNITED STATESPosted 1 May 2023Deadline 31 Mar 2028
NIHUS FederalResearch GrantFY202521+ years oldAbsence of pain sensationAbsence of sensibility to painAcuteAdoptedAdultAdult HumanAgonistAlgorithmsAnalgesic AgentsAnalgesic DrugsAnalgesic PreparationAnalgesicsAnodynesAntinociceptive AgentsAntinociceptive DrugsBackCell Communication and SignalingCell SignalingCessation of lifeChronicClinicalClinical ManagementCollaborationsComputer AssistedDREADDsDangerousnessDeathDockingDorsumDrug DesignDrugsFeedbackFeels no painG Protein-Complex ReceptorG Protein-Coupled Receptor GenesG-Protein-Coupled ReceptorsGPCRGeneticIntracellular Communication and SignalingLigandsMedicationMethodsModelingMolecular ConfigurationMolecular ConformationMolecular StereochemistryNo sensitivity to painOpiate AddictionOpiate DependenceOpiate ReceptorsOpioid ReceptorPain ControlPain TherapyPain managementPharmaceutical PreparationsPlayPropertyProteinsRapid screeningReceptor ProteinResearch ResourcesResourcesRespiratory DepressionRoleSignal PathwaySignal TransductionSignal Transduction SystemsSignalingSignaling Factor Proto-OncogeneSignaling Pathway GeneSignaling ProteinStructureTherapeuticTimeVentilatory Depressionadulthoodanalgesiabiological signal transductionchemical librarycomputational platformcomputer aidedcomputing platformconformationconformationalconformational stateconformationallyconformationsdeep learningdeep learning methoddeep learning strategydepressed breathingdepression of breathingdesigndesigner receptors exclusively activated by designer drugsdesigningdrug discoverydrug/agentin silicoinnovateinnovationinnovativeinterestlead optimizationlicit opioidmu opioid receptorsnovelopiate medicationopiate therapyopiate use disorderopioid addictionopioid dependenceopioid dependentopioid medicationopioid therapyopioid use disorderpain interventionpain killerpain medicationpain relieverpain treatmentpainkillerplasma protein Zprescribed opiateprescribed opioidprescription opiateprescription opioidprotein Zprotein structure predictionreceptorrecruitside effectsmall moleculesmall molecule librariessocial roletargeted drug therapytargeted drug treatmentstargeted therapeutictargeted therapeutic agentstargeted therapytargeted treatmenttherapeutic opioidtoolμ opioid receptorsμ-ORμOR
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PROJECT SUMMARY
Prescription opioid therapy plays a critical role in the clinical management of pain in multiple acute and chronic

settings. The challenges of effective pain management have led to over 2 million adults in the US, and over 12

million globally, with an opioid use disorder (OUD). OUD accounts for over 120,000 deaths annually…

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Developing a computational platform for induced-fit and chemogenetic drug design — VANDERBILT UNIVERSITY | UNITED STATES | Dev Procure