Environmentally conscious practices can be encouraged in many organisations through this study, which has the potential to change our understanding of bio-molecular interactions in natural systems. There is an immediate need for innovative approaches to environmentally responsible bio-molecule management due to the critical nature of environmental problems such as pollution, climate change, and resource depletion. Using state-of-the-art computational biomechanics and organic sciences, this study presents an approach to environmental governance known as Integrative Biomechanical Modelling for Environmental Governance Technique (IBM-EGT). A combination of environmental parameterization, advanced biomechanical modelling, and excellent data sets allows the IBM-EGT method to describe the behaviour of biomolecules in a wide variety of natural settings. By factoring in environmental variables like temperature, pH, and pollutant concentrations, IBM-EGT provides a comprehensive picture of bio-molecular dynamics in response to environmental stimuli. Biomaterials, bioremediation, pharmaceuticals, and even agriculture are just a few of the many potential sectors that can profit from IBM-EGT. Agricultural operations can be optimised, green medicines can be introduced, sustainable biomaterials can be developed, and diseased regions can be cleaned up with its help. Because it enables the prediction of bio-molecular interactions and behaviour in complex environmental contexts, simulation analysis is a fundamental topic of IBM-EGT. In an effort to find the best ways to conduct activities while reducing negative environmental impacts and increasing positive ones, IBM-EGT does scenario analysis based on simulations. The studies mentioned here help keep the environment and people healthy by elucidating the nature of the connection between Bio-Molecules and their herbal environment. Furthermore, it enables the development of plans for the distant future.