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Design, synthesis, docking, molecular dynamics and bioevaluation studies on novel N-methylpicolinamide and thienopyrimidine derivatives with inhibiting NF-κB and TAK1 activities: Cheminformatics tools RDKit applied in drug design

Linxiao Wang, Qian Zhang, Zhe Wang, Wufu Zhu, Ning‐Hua Tan

2021European Journal of Medicinal Chemistry26 citationsDOIOpen Access PDF

Topics & Concepts

ChemistryDocking (animal)PhosphorylationA549 cellKinaseApoptosisCell cycle checkpointCell cycleBiochemistryMedicineNursingSynthesis and biological activityNF-κB Signaling PathwaysComputational Drug Discovery Methods
Design, synthesis, docking, molecular dynamics and bioevaluation studies on novel N-methylpicolinamide and thienopyrimidine derivatives with inhibiting NF-κB and TAK1 activities: Cheminformatics tools RDKit applied in drug design | Litcius