Natural fiber-based sustainable materials have become more and more popular due to their excellent life cycle, affordability, biodegradability, high mechanical properties, and environmental friendliness. These materials are widely used in many engineering applications, and the field is expanding as a result of ongoing research. However, due of their inherent characteristics, natural fibers provide a variety of challenges in their development and application. Water absorption issues, thermal stability issues, fiber quality issues, and incompatibility with polymer matrices are notable obstacles. Due to economic and environmental factors, this subject is witnessing a dramatic increase in research efforts aimed at improving the performance of sustainable materials derived from natural fibers. Recent advancements have mostly focused on improving these materials from an economic, environmental, and sustainability perspective. Notable developments include chemical treatment methods and the hybridization of natural and synthetic fibers, which has been demonstrated to significantly improve the mechanical properties of sustainable fibers. This essay also highlights the importance of using numerical models to examine these materials. Lastly, recommendations and conclusions are made to guide further research in this emerging field.