Biomimicry is a newly emerging science that relies on inspiration and innovation to solve human problems by studying the systems, forms, and relationships found in nature. This research examines more than 50 studies, each addressing the concept of biomimicry in a specific field. Despite the novelty of this concept, it still requires detailed and extensive studies to achieve comprehensive sustainability in architectural designs. This research aims to build a comprehensive theoretical framework for sustainable biomimicry mechanisms in architecture. Accordingly, the concept of biomimicry in architectural design will be addressed on two levels. The first includes the concept within the field of architecture: the exterior structure, high-rise buildings, and interior design, as well as the concept of urban mimicry in urban environments and projects, and concepts of biomechanical design. The second level examines the impact of this concept in making these projects more energy- and resource-efficient, achieving environmental balance, and thus achieving more sustainable projects. The research concludes that the most important axes of these mechanisms include: biological analysis as a basis for architectural design; biomimicry as a philosophical approach that understands nature as a complex, closed system; smart cities and high-rise buildings; and smart materials and technologies, including green buildings. Achieving design aesthetics and environmental balance, and a future-oriented educational approach by integrating biology and architecture with biomechanical design curricula and training future generations to draw inspiration from nature in solving problems.