Studies involving bio‐based nanofibers are well utilized in the field of energy, catalysis, electronics, and environmental science. In this review, the importance of utilizing bio‐based materials for the development and optimization of multiplexed nanofibers and the modifications adopted to overcome the drawbacks of conventional electro‐spinning to facilitate better production rates, enhanced adsorption, and its potential in removing heavy metal ions, dyes, and other contaminants polluting the environment are highlighted. This work provides the readers the ability to understand the complexity in fabrication of bio‐based nanofibers focusing primarily on chitosan, cellulose, and protein‐based nanofibers and their mechanism toward quenching/degradation of water contaminants. In addition, it also provides the advantages of using bio‐based materials over synthetic materials for the development of nanofibers.