Targeting SHP2 Cryptic Allosteric Sites for Effective Cancer Therapy - Rehman, Ashfaq Ur; Zhao, Cizhang; Wu, Yongxian; Zhu, Qiang; Luo, Ray (International journal of molecular sciences, 2024)
Keywords: Allosteric Regulation - drug effects; Allosteric Site; Analysis; Antimitotic agents; Antineoplastic agents; Antineoplastic Agents - chemistry; Antineoplastic Agents - pharmacology; Antineoplastic Agents - therapeutic use; Binding Sites; Cancer; Care and treatment; Cell growth; Development and progression; Enzymes; Flexibility; Health aspects; Humans; Investigations; Kinases; Leukemia; Ligands; Molecular Dynamics Simulation; Mutation; Neoplasms - drug therapy; Neoplasms - metabolism; NMR; Nuclear magnetic resonance; Phosphatase; Protein Binding; Protein Tyrosine Phosphatase, Non-Receptor Type 11 - antagonists & inhibitors; Protein Tyrosine Phosphatase, Non-Receptor Type 11 - chemistry; Protein Tyrosine Phosphatase, Non-Receptor Type 11 - metabolism; Proteins; Simulation; Simulation methods; Tumors; Tyrosine; computational chemistry; molecular dynamics; protein tyrosine phosphatase; structure dynamics; multi-scale docking