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Design, synthesis, anticancer activity of new amide derivatives derived from 1,2,3-triazole-benzofuran hybrids: An insights from molecular docking, molecular dynamics simulation and DFT studies

Naganjaneyulu Gariganti, Shiva Krishna Loke, Eswar Pagadala, Poojitha Chinta, Bhaskar Poola, Prabhakar Chetti, Arubhi Bansal, Balajee Ramachandran, Venkatesan Srinivasadesikan, Ravi K. Kottalanka

2022Journal of Molecular Structure49 citationsDOI

Topics & Concepts

Protein Data Bank (RCSB PDB)ChemistryDocking (animal)EtoposideAmideBenzofuranStereochemistryTriazole1,2,3-TriazoleAutoDockMolecular modelCombinatorial chemistryBiochemistryOrganic chemistryIn silicoSurgeryGeneChemotherapyMedicineNursingClick Chemistry and ApplicationsSynthesis and biological activitySynthesis and Biological Evaluation
Design, synthesis, anticancer activity of new amide derivatives derived from 1,2,3-triazole-benzofuran hybrids: An insights from molecular docking, molecular dynamics simulation and DFT studies | Litcius