QSAR, ADME and docking guided semi-synthesis and in vitro evaluation of 4-hydroxy-α-tetralone analogs for anti-inflammatory activity
Harish C. Upadhyay, Monika Singh, Om Prakash, Feroz Khan, Santosh K. Srivastava, Dnyaneshwar Umrao Bawankule
Topics & Concepts
Quantitative structure–activity relationshipADMEChemistryIn silicoDocking (animal)Linear regressionStereochemistryPharmacologyIn vitroBiochemistryBiologyMathematicsMedicineGeneStatisticsNursingNatural product bioactivities and synthesisPhytochemistry and Biological ActivitiesBioactive natural compounds