Exploring pyrazoline-thiophene hybrids as CDK2 inhibitors: synthesis, mechanism, biological studies, and computational insights
Heba M. Abosalim, Tarek Elmoselhy, Nabaweya Sharafeldin, Mohamed S. Nafie, Mohamed K. Diab, Mervat H. El‐Hamamsy, Haytham O. Tawfik
Abstract
Novel pyrazoline-linked thiophenes were synthesized as anticancer agents. Lead compound 4p showed sub-micromolar cytotoxicity, induced CDK2-mediated apoptosis and cell-cycle arrest, and reduced tumor burden in vivo with low toxicity.
Topics & Concepts
Downregulation and upregulationCytotoxicityApoptosisChemistryCyclin-dependent kinase 2Cancer researchPotencyDocking (animal)Computational biologyCancerStructure–activity relationshipIn vitroMolecular modelBiologyLung cancerStereochemistryFlow cytometryA549 cellKinaseBiochemistryIC50Lead compoundCell culturePharmacologyBiological activityCancer cellCell cycle checkpointSynthesis and biological activityCancer-related Molecular PathwaysSynthesis and Characterization of Pyrroles