Finding structural requirements of structurally diverse α-glucosidase and α-amylase inhibitors through validated and predictive 2D-QSAR and 3D-QSAR analyses
Soumya Mitra, Subhadas Chatterjee, Shobhan Bose, Parthasarathi Panda, Souvik Basak, Nilanjan Ghosh, Subhash C. Mandal, Saroj Singhmura, Amit Kumar Halder
Topics & Concepts
Quantitative structure–activity relationshipChemistryCheminformaticsSteric effectsDocking (animal)Computational biologyAmylaseStereochemistryComputational chemistryEnzymeBiochemistryBiologyMedicineNursingComputational Drug Discovery MethodsNatural Antidiabetic Agents StudiesEnzyme Production and Characterization