Exploring The Anticancer Potential Of Curcuma Caesia Roxb. Indigenous To Manipur, India: An In-Silico Study Of GC-MS Identified Bioactives

Abstract

Objective: This study explores the chemical composition and anticancer potential of Curcuma caesia (Kali Haldi), a rare medicinal herb from the Zingiberaceae family. Material & method: Using Gas Chromatography-Mass Spectrometry (GC-MS), the volatile rhizome oil from four accessions collected in Manipur was analysed and the anticancer potential of key bioactive compounds was assessed through molecular docking using PyRx against various cancer cell lines including HeLa (cervical), PA-1 (ovarian), PANC-1 & PaCa-2 (pancreatic), and HTLA-230 (neuroblastoma). Binding interactions were analysed using Biovia Discovery Studio while SwissADME and Protox 3.0 were used to evaluate pharmacokinetic and toxicity profiles. Result: Phytochemical investigation revealed the presence of 50 chemical constituents that made up 87.04%–96.99% of the essential oil. The major compounds included Epicurzerenone, Curcumenol, Eucalyptol, Camphor and (R)-3,5,8a-Trimethyl-7,8,8a,9-tetrahydronaphtho[2,3-b]furan-4(6H)-one, with some first ever identification of essential oil in C. caesia highlighting significant geographical variations. Molecular Docking results unveiled that Curcumenol and (R)-3,5,8a-Trimethyl-7,8,8a,9-tetrahydronaphtho[2,3-b]furan-4(6H)-one had exhibited  highest binding affinity while ADMET study assessed the pharmacokinetic and safety profile of major compounds for drug development. Conclusion: These findings provide a foundation for further research into the therapeutic and anticancer potential of Curcuma caesia Roxb. compounds, opening new avenues in the field of drug discovery and herbal medicine.