Rational Drug Design Approach of Receptor Tyrosine Kinase Type III Inhibitors

• Published in: Current medicinal chemistry Vol. 26; no. 42; p. 7623
• Main Authors: Kim, Cheolhee, Kim, Eunae
• Format: Journal Article
• Language: English
• Published: United Arab Emirates 01.01.2019
• Subjects: Amino Acid Sequence; Catalytic Domain; Computational Biology - methods; Drug Design; Humans; Ligands; Molecular Docking Simulation; Molecular Dynamics Simulation; Protein Kinase Inhibitors - chemistry; Protein Kinase Inhibitors - metabolism; Receptor Protein-Tyrosine Kinases - antagonists & inhibitors; Receptor Protein-Tyrosine Kinases - chemistry; Receptor Protein-Tyrosine Kinases - metabolism; CSF1R; rational drug design; c-KIT; FLT3; molecular modeling; PDGFR; Type III receptor tyrosine kinase; molecular dynamics; computer-aided drug design; docking simulation
• DOI: 10.2174/0929867325666180622143548

Rational drug design is accomplished through the complementary use of structural biology and computational biology of biological macromolecules involved in disease pathology. Most of the known theoretical approaches for drug design are based on knowledge of the biological targets to which the drug binds. This approach can be used to design drug molecules that restore the balance of the signaling pathway by inhibiting or stimulating biological targets by molecular modeling procedures as well as by molecular dynamics simulations. Type III receptor tyrosine kinase affects most of the fundamental cellular processes including cell cycle, cell migration, cell metabolism, and survival, as well as cell proliferation and differentiation. Many inhibitors of successful rational drug design show that some computational techniques can be combined to achieve synergistic effects.