Shedding Light on the Interaction of Human Anti-Apoptotic Bcl-2 Protein with Ligands through Biophysical and in Silico Studies - Ramos, Joao; Muthukumaran, Jayaraman; Freire, Filipe; Paquete-Ferreira, João; Otrelo-Cardoso, Ana Rita; Svergun, Dmitri; Panjkovich, Alejandro; Santos-Silva, Teresa (International journal of molecular sciences, 2019)
Keywords: Apoptosis; Apoptosis - genetics; Binding Sites; Biophysical Phenomena; Bridged Bicyclo Compounds, Heterocyclic - chemistry; Cancer; Computer Simulation; Cytochrome; Homeostasis; Humans; Kinases; Ligands; Lymphoma; Mitochondria; Molecular Docking Simulation; Molecular Dynamics Simulation; NMR; Nuclear magnetic resonance; Physiology; Polymorphism, Single Nucleotide - genetics; Protein Binding; Protein Conformation; Proteins; Proto-Oncogene Proteins c-bcl-2 - chemistry; Proto-Oncogene Proteins c-bcl-2 - genetics; Sulfonamides - chemistry; Bcl-2; protein-ligand interactions; biophysical methods; bioinformatics; high throughput virtual screening; cell apoptosis; in silico; venetoclax; BH3 mimetics