- The representation displayed is that of cyclin-dependent kinase 2 (CDK2) interacting with an oxindole inhibitor. The ligand pictured is the , 4-(5-bromo-2-oxo-2h-indol-3-ylazo)- benzenesulfonamide. is part of the Ser/Thr protein kinases. CDK2 is a positive regulator of the eukaryotic cell cycle progression and is a catalytic unit that helps the cell progress from the G1 phase to the S phase. [1]
- In the study “The Structure of Cyclin-Dependent Kinase 2 (CDK2) in Complex with an Oxindole Inhibitor,” researchers studied whether using a topical oxindole inhibitor would reduce the chemotherapy-induced alopecia (CIA). Alopecia is characterized by hair loss. By inhibiting the CDK2, the cell cycle is slowed and the sensitivity to the epithelium from many cell cycle-active antitumor agents is reduced. Thus, a reduction in hair loss can be possible. [2]
- The CDK2 is composed of a total of .
- The oxindole inhibitor interacts with CDK2 through a small located at the .
- The oxindole inhbitor is able to interact with CDK2's active site through four important sets of , thus slowing the cell cycle. The interactions include in a Pi-Pi, Pi-cation interaction, an interaction with in a hydrophobic interaction, and there are two sets of important hydrogen bonds: and .
References
- ↑ [1]
- ↑ Davis ST, Benson BG, Bramson HN, Chapman DE, Dickerson SH, Dold KM, Eberwein DJ, Edelstein M, Frye SV, Gampe Jr RT, Griffin RJ, Harris PA, Hassell AM, Holmes WD, Hunter RN, Knick VB, Lackey K, Lovejoy B, Luzzio MJ, Murray D, Parker P, Rocque WJ, Shewchuk L, Veal JM, Walker DH, Kuyper LF. Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors. Science. 2001 Jan 5;291(5501):134-7. PMID:11141566 doi:10.1126/science.291.5501.134
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