Multi-step synthesis of novel 2-methyl-3-carboxamide-4-quinolones and an enhanced sampling simulation method to identify potentiators for cystic fibrosis
Bhanu Sharma, Nibin Joy Muthipeedika, Dhananjay Bhattacherjee, Grigory V. Zyryanov, Rituraj Purohit
Topics & Concepts
PotentiatorChemistryIvacaftorMolecular dynamicsMoleculeDocking (animal)Umbrella samplingCombinatorial chemistryCystic fibrosis transmembrane conductance regulatorComputational chemistryBiochemistryPharmacologyBiologyOrganic chemistryGeneMedicineNursingCystic Fibrosis Research AdvancesAdvanced biosensing and bioanalysis techniquesLegume Nitrogen Fixing Symbiosis