ISOLATION, CHARACTERIZATION, AND COMPUTATIONAL DOCKING ANALYSIS OF CELLULOSE NANOCRYSTALS FROM Morinda citrifolia (NONI) LEAF FIBERS

Cellulose nanocrystals (CNCs) derived from Morinda citrifolia (noni) leaf fibers were explored as sustainable, biodegradable reinforcement agents in organic–inorganic nanocomposites, with a focus on catalytic applications. This study investigates the suitability of noni leaf fibers as a sustainable source for cellulose nanocrystal production (CNCs). The fibers underwent a sequential treatment process involving dewaxing, alkaline delignification, KMnO4– oxalic acid bleaching, and acid hydrolysis. Each stage of the process was systematically characterized. Morphological analysis via scanning electron microscopy (SEM) revealed structural transformations, while Fourier transform infrared spectroscopy (FTIR) confirmed the progressive removal of non-cellulosic components. XRD analysis showed increased crystallinity with successive treatments, and thermo-gravimetric analysis (TGA) of CNC represented the weight loss in the sample, after being continuously heated to 600°C. Molecular docking studies using the breast cancerrelated protein (3EQM) indicated a strong binding affinity of CNCs to the active site, with a binding energy of −8.5 kcal/mol, supported by hydrogen bond interactions, highlighting their potential for biomedical and drug delivery applications.