In variety of epithelial cancers, Galectin-3, a beta-galactoside-binding protein, has been observed to be overexpressed. Ciclopirox (CPX) is an antifungal medicine that treats mycoses of the skin and nails. Our research group previously investigated the repurposing of CPX as an anti-colon cancer agent. The study demonstrated that CPX effectively inhibited six drug targets: Cell Division Cycle 25A (Cdc25A), Protein Deglycase DJ-1 (DJ-1), Retinoblastoma Protein (p-Rb/Rb), Cyclin-Dependent Kinase-4 (CDK4), High-Mobility Group AT-Hook-2 (HMGA2), and Catenin β-1 (Wnt/β-catenin). However, following analysis of various pharmaceutical databases such as Science Direct, PubMed, Google Scholar, and others, it was hypothesized that the interaction of ciclopirox-chitosan-pectin (CPX-CHT-PEC) complex (produced by complexing CPX with chitosan and pectin via polyelectrolyte complexation technique) against galectin-3 was not studied yet. This study’s prime aim was at investigating the possibilities of novel CPX-CHT-PEC complex as an agent for anti-colorectal cancer with utilization of in-silico techniques against the target galectin-3 using Schrodinger Maestro Software suite 2021-2. Furthermore, the drug-likeness, bioavailability, drug targets, and pharmacokinetics of the CPX-CHT-PEC complex were predicted with the help of online computational tools such as SwissADME and SwissTargetPrediction. The in-silico analysis suggested that the novel CPX-CHT-PEC complex could play a significant role in managing colon cancer by effectively inhibiting the molecular target galectin-3.The pharmacokinetics, bioavailability, and drug-likeness characteristics of both ligands further reinforced their potential for lead development. The study will therefore provide insights into the application of this complex for the scientists, doctors, chemists, and other healthcare persons in the view of evolving challenges in chemotherapeutics.