Exploring Cytotoxic Potential of Ciclopirox on Colorectal Cancer Cells by In-Silico Methodology

Abstract

Colorectal cancer (CRC) stands 3rd among male cancer cases and the second most prevalent disease in women, accounting for 10% of all cancer cases globally. Ciclopirox (CPX) is a broad-spectrum, synthetic, off-patent antifungal drug recommended in dermatological conditions of mycoses of the skin and nails. There are no important molecular docking studies on inhibitory aspects of CPX against CRC targets. The main objective of this study was to explore the potential of CPX as an anti-CRC agent by using in-silico approaches with the help of published literature on downregulation of overhead protein expression in CRC and combining this information in order to recognize novel 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/-catenin)] and to identify the perspectives for drug repurposing and comparing this with oxaliplatin; one of the standard drug used in CRC. Also, in silico drug-likeliness studies, bioavailability studies, pharmacokinetic studies, drug target prediction, and bioisosteric replacement have been performed for CPX using online SwissADME tools (SwissADME, SwissTargetPrediction, and SwissBioisostere). The in silico studies revealed that CPX successfully inhibited all the molecular targets, which suggested plausible re-utilization of CPX for treating CRC.