Synthesis, crystal structure, in-silico ADMET, molecular docking and dynamics simulation studies of thiophene-chalcone analogues
S. Nanjundaswamy, Gurumallappa Gurumallappa, M.K. Hema, C.S. Karthik, Jothi Ramalingam Rajabathar, Selvaraj Arokiyaraj, N.K. Lokanath, P. Mallu
Topics & Concepts
ChemistryProtein Data Bank (RCSB PDB)ChalconeHydrogen bondThiopheneCrystal structureMonoclinic crystal systemStereochemistryDocking (animal)CrystallographyMoleculeOrganic chemistryNursingMedicineSynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsComputational Drug Discovery Methods