Today, the world is finding it challenging to recover from microorganism pollution, which is a concern for our world's safety and people's well-being. Ochratoxin is a well-known mycotoxin caused by Aspergillus and Penicillium species, and the contamination of crops, soil, air, and water by this toxin has far-reaching consequences that affect ecosystems and potentially lead to chronic health issues in humans and animals. However, the environmental impact of ochratoxins (OTXs) today is a multiple challenge that extends across agricultural landscapes and ecosystems. Herein, we intend to resolve these concerns through sensor technology, whereby this toxin can be adsorbed from various environments. We re-engineered graphene nanomaterials with codoped silicon and group 15 elements as sensors for OTX through a computational study. The modification of graphene with the mentioned elements demonstrates strong stability characteristics. This is evidenced by the transitions from π antibonding to another π antibonding, lone pair (LP) to LP, and π antibonding via the NBO study. Silicon-doped graphene showed good adsorption of OTX, and the adsorption strength further increased after the 15-group elements were doped with Si@GP, providing a more suitable option. The adsorption strength increased in the following order: OTX-P-Si@GP (-2.3113 eV), OTX-As-Si@GP (-3.2595 eV), OTX-Sb-Si@GP (-5.4025 eV), and OTX-Bi-Si@GP (-6.6488 eV). Therefore, the modification of Si@GP with 15 group elements is unique for ochratoxin adsorption such that as the electronegativity of 15 group elements decreases, the surface becomes more suitable for the adsorption of OTX. Interestingly, the results of this research suggested that the studied surfaces can be a potential candidate in the application of OTX sensors, thus this study can be beneficial to industries and experimental researchers.