Search results for "mcc950"

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In Silico Insights towards the Identification of NLRP3 Druggable Hot Spots

2019

NLRP3 (NOD-like receptor family, pyrin domain-containing protein 3) activation has been linked to several chronic pathologies, including atherosclerosis, type-II diabetes, fibrosis, rheumatoid arthritis, and Alzheimer’s disease. Therefore, NLRP3 represents an appealing target for the development of innovative therapeutic approaches. A few companies are currently working on the discovery of selective modulators of NLRP3 inflammasome. Unfortunately, limited structural data are available for this target. To date, MCC950 represents one of the most promising noncovalent NLRP3 inhibitors. Recently, a possible region for the binding of MCC950 to the NLRP3 protein was described but no details were …

0301 basic medicineInflammasomesComputer sciencehomology modelingMolecular ConformationDruggabilitymcc950Ligands01 natural sciencesPyrin domainlcsh:Chemistrynlrp3 modulationlcsh:QH301-705.5SpectroscopyMolecular Structureintegumentary systemCommunicationInflammasomeGeneral MedicineComputer Science ApplicationsMolecular Docking SimulationdockingProtein Bindingmedicine.drugIn silicoinduced-fit dockingComputational biologyMolecular Dynamics Simulation010402 general chemistryCatalysisInorganic ChemistryStructure-Activity Relationship03 medical and health sciencesNLR Family Pyrin Domain-Containing 3 Proteinnacht domainmedicineHumansHomology modelingPhysical and Theoretical ChemistryMolecular BiologyBinding SitesOrganic ChemistryHydrogen BondingBinding processmolecular dynamics0104 chemical sciences030104 developmental biologylcsh:Biology (General)lcsh:QD1-999Docking (molecular)MutationNACHT domainwalker bInternational Journal of Molecular Sciences
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